COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Crude and refined coal tars | complete | 04/01/21 | This compound group was populated from existing compound groups for the Cradle to Cradle (C2C) RSL. |
48 | 1 | |
CYANIDE COMPOUNDS | complete | This compound group includes both commercially relevant compounds such as Hydrogen Cyanide, Sodium Cyanide, Potassium Cyanide, and Calcium Cyanide, as well as cyanide salts that are less common. |
structure | 39 | 8 | |
Cyclocyloxanes - Biomonitoring CA | complete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 4 | 1 | |
Di- and triether of alkanediols and -triols (C3-C8, linear and branched) with epichlorohydrin (content of free epichlorohydrin < 20 ppm, not characterized as H351 or H350) | complete | 06/17/19 | fixed list | 16 | 0 | |
Di-isodecyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 7 | 0 | |
Di-n-Octyl Phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Dibutyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Dichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 5 | 6 | |
Dichloroethylenes | complete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
dichloropropanes | complete | This compound group has not yet been assigned a structural definition. | other | 17 | 0 | |
Dicyclohexyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
Diethyl hexyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 12 | 0 | |
Dimethylarsenic acids | complete | This compound group is defined by the SMILES string '[CH3][As](=O)([CH3])O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 18 | 39 | |
Dimethyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH3][Sn]([CH3])', then subtracting compounds with 3+ methyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 276 | 17 |
Dinoterb salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1[OD1])[N+](=O)[O-])[N+](=O)[O-] plus [CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 7 | 9 | |
Dioctyltin dilaurate, stannane, dioctyl-, bis(coco acyloxy) derivs., and any other stannane, dioctyl-, bis(fatty acyloxy) derivs. wherein C12 is the predominant carbon number of the fatty acyloxy moiety | complete | 02/27/23 | 3 | 5 | ||
dioctyltin dilaurate; stannane, dioctyl-, bis(coco acyloxy) derivs. (ECHA defined) | complete | 02/27/23 | 2 | 5 | ||
Diphenyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn](C2=[CH][CH]=[CH][CH]=[CH]2)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 153 | 19 |
Endocrine Disruptors - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 13 | 1 | |
Endosulfan Isomers | complete | This compound group was populated from the Stockholm POPs Convention decision http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx | fixed list | 2 | 3 | |
Fatty alcohols, saturated, with even-numbered C-chain, number of C-atoms >=16, with terminating OH-group | complete | 39 | 0 | |||
Formaldehyde compounds and polymers | complete | 09/11/18 | This compound group was populated by searching ChemIDplus for all compounds whose name contained "formaldehyde". Additionally, it contains the compounds in its subgroups. |
other | 1165 | 2 |
Formaldehyde Donors | complete | 05/29/20 | This compound group is populated from a list of chemicals in an ECHA Investigation Report - Formaldehyde and Formaldehyde Releasers as well as manual searches. Report downloaded from https://echa.europa.eu/documents/10162/13641/annex_xv_report_formaldehyde_en.pdf/58be2f0a-7ca7-264d-a594-da5051a1c74b 149-44-0 (Sodium formaldehyde sulfoxylate) was added based on suggestion by GreenSeal, citing https://pubchem.ncbi.nlm.nih.gov/compound/Sodium-hydroxymethanesulfinate and https://www.fishersci.com/store/msds?partNumber=AC149190250&productDescription=SODIUM+FORMALDEHYDESULFO+25KG&vendorId=VN00032119&countryCode=US&language=en |
functional use | 187 | 1 |
Germanium Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Ge]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 1206 | 1 |
Gold salts | complete | 04/01/21 | This compound group was populated using a substructure search of PubChem using the SMILES string [Au]. |
element | 495 | 1 |
halogenated monomethyldiphenylmethanes - UN Transport of Dangerous Goods | complete | 04/28/23 | 3 | 1 | ||
Halogenated Solvents | complete | 08/17/23 | This compound group is populated by selecting halogenated solvents (excluding salts) from GSPI's Six Classes of Problematic Chemicals - Some Solvents List. |
fixed list | 973 | 5 |
Halogenated Solvents - City of Portland, OR | complete | 05/17/17 | Includes chemicals from https://www.portlandoregon.gov/water/article/28482 1-Chlorobutane (CAS 109-69-3) added by suggestion of GreenSeal citing https://pubchem.ncbi.nlm.nih.gov/compound/1-Chlorobutane#section=Use-Classification |
functional use | 88 | 5 |
HBCDD / HBCD isomers | complete | This compound group is defined by the SMILES/SMARTS string "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.
|
structure | 32 | 11 | |
Hexabromocyclododecane (HBCDD) | complete | 02/27/23 | Hexabromocyclododecane (HBCDD) and all major diastereoisomers identified |
7 | 17 | |
Hydrofluorocarbons (HFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549)
|
fixed list | 19 | 1 |
Inorganic Ammonium Salts | complete | 08/01/18 | This compound group is defined by the SMILES string '[NH4] subtracting [NH4].C'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 275 | 3 |
Inorganic cyanide compounds | complete | 03/12/20 | This compound group was manually populated with inorganic cyanide compounds. It is based on an entry in Korea's GHS. |
other | 22 | 13 |
Ioxynil salts | complete | 07/30/18 | This compound group has not yet been assigned a structural definition. |
other | 11 | 0 |
Iron Oxides (MAK list of 4) | complete | This compound group is populated from the MAK list. |
fixed list | 6 | 1 | |
ISOCYANATES | complete | 07/19/17 | This compound group is defined by the SMARTS string "[NX2:2]=[C:1]=[OX1:3]". For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification. |
structure | 2936 | 2 |
Manganese Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Mn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 614 | 5 |
Medium-chain chlorinated paraffins (MCCP) | complete | 02/27/23 | UVCB substances consisting of more than or equal to 80% linear chloroalkanes with carbon chain lengths within the range from C14 to C17 |
4 | 13 | |
Mercury, organic compounds (MAK) | complete | MAK provides the following criteria for the organic mercury compounds it flags as hazardous. This compound group is defined by the SMILES/SMARTS string "C[Hg]" and populated from a substructure search of PubChem. "Organomercury compounds are characterized chemically by the covalent binding of one or two alkyl or aryl groups and covalent or ionic binding of a group such as halide,hydroxide, acetate, nitrate or phosphate to the mercury atom." https://onlinelibrary.wiley.com/doi/10.1002/3527600418.mb743997orge0015 |
structure | 965 | 46 | |
Metal salts of 2-ethylhexanoic acid | complete | 05/22/23 | ECHA defined chemical group |
fixed list | 9 | 4 |
Methylarsenic compounds | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[As][CH3]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. |
structure | 398 | 39 | |
Molybdenum Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Mo]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 391 | 4 |
Monohalomethanes | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
Monometharsonic acids | complete | This compound group is defined by A PubChem Substructure search of the SMILES/SMARTS string "[CH3][As](=O)(O)O". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.
|
structure | 34 | 39 | |
Monomethyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[Sn][CH3]' subtracting compounds with 2+ methyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 95 | 17 |
Monophenyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn]', then subtracting compounds matching diphenyltin. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 70 | 19 |
National Health and Nutrition Examination Survey (NHANES) Chemical List | complete | 07/27/20 | This list was copied from https://comptox.epa.gov/dashboard/chemical_lists/NHANES2019 |
fixed list | 516 | 0 |
Nickel compounds, inorganic | complete | This compound group is defined by the SMILES/SMARTS string "[Ni] subtract [Ni].C" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 507 | 1 | |
Nickel compounds, oxidic | complete | This compound group is defined by the SMILES/SMARTS string "O=[Ni]" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. "including nickel oxide, nickel-copper oxide, nickel silicate oxides, and complex oxides" |
structure | 29 | 28 | |
Nickel Compounds, Soluble (MAK list) | complete | This compound group has been populated using subgroups listed by MAK Commission of Germany. |
fixed list | 11 | 29 | |
Nonadecafluorodecanoic acid (PFDA) and its sodium and ammonium salts | complete | 02/27/23 | 3 | 4 | ||
Organohalogen Flame Retardants - NAS OFR expanded set | complete | 02/12/24 | This compound group is populated from "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants" by National Academies of Sciences, Engineering, and Medicine. The committee identified a set of 1073 analogue compounds as "expanded set" based on combined functional, structural, and predicted bioactivity information. The subclasses from the seed list used to expand this list are also in Pharos:
|
fixed list | 1084 | 1 |
ORGANOPHOSPHOROUS COMPOUNDS | complete | 09/13/18 | This compound group is defined by the SMILES string 'POC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3174 | 1 |
Orthoboric acid, sodium salt (group) | complete | 02/27/23 | 6 | 4 | ||
Ozone Depleting Chemicals - Apple RSS | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 84 | 0 | |
Ozone Depleting Chemicals (ODCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 209 | 3 |
Ozone Depleting Chemicals, Hydrochlorofluorocarbons - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 115 | 0 | |
Pentachlorophenol salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[OD1] plus C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O]C(C)=O". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 118 | 12 | |
Pentanol isomers (MAK list) | complete | This compound group has not yet been assigned a structural definition. |
fixed list | 11 | 4 | |
Perfluorocarbons (PFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 9 | 1 |
Perfluorohexanesulfonic acid and its salts (PFHxS) | complete | 02/27/23 | 37 | 22 | ||
Perfluorooctane sulfonates (PFOS) | complete | This compound group is defined by the SMILES/SMARTS string "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 41 | 32 | |
Perfluorooctane Sulfonates (PFOS) and PFOS salts in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 28 | 2 |
Petroleum Process Streams | complete | 03/10/23 | EPA's Partially Exempt Petroleum Process Streams list from EPA's Chemical Data Reporting: https://www.epa.gov/chemical-data-reporting/partially-exempt-petroleum-process-streams |
fixed list | 635 | 0 |
PFAS - OECD Comprehensive Global Database of PFASs (2018) | complete | 4747 | 13 | |||
PFAS soluable in DMSO - EPAPFASIV | complete | 08/14/23 | This compound group is populated from EPAPFASIV's list. EPA filtered several publicly available PFAS lists to exclude most high (>500) and low (<50) molecular weight compounds, aromatic compounds, metal-containing compounds, and chemicals with a low ratio of fluorine to carbon. The PFAS chemicals in this list are in the current inventory found to be soluble in DMSO. |
fixed list | 437 | 14 |
PFNA, Perfluorononan-1-oic-acid and its sodium and ammonium salts | complete | 02/27/23 | other | 3 | 5 | |
Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) | complete | 02/27/23 | full name: Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) |
3 | 8 | |
Phenol, isopropylated, phosphate (3:1) - EPA PBT | complete | 07/12/23 | EPA's background information about PBT define this compound group as a family of structures in which each of the three aryl groups have at least one isopropyl group: Tris(3-isopropylphenyl) phosphate, Tri(isopropylphenyl) phosphate, Tri(4-isopropylphenyl) phosphate |
fixed list | 3 | 1 |
Phthalates - Apple RSS | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 51 | 1 | |
PHTHALATES (orthophthalates) | complete | This compound group is defined by a substructure search of PubChem using the SMILES string 'COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 639 | 12 | |
Pigments containing or manufactured with chlorine | complete | 07/19/23 | This compound group is populated with ChemForward's inadvertent PCB (iPCB) Pigment Resources - pigments with "Yes" for "Contains Chlorine?" or a "Yes" for "Manufactured using chlorine solvent?". |
fixed list | 177 | 0 |
POLYBROMINATED BIPHENYLS (PBBs) | complete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 56 | 45 | |
Polybrominated Diphenyl Ethers (PBDEs) - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 23 | 1 | |
POLYCYCLIC AROMATIC COMPOUNDS (OSHA EXCLUSIONS) | complete | This compound group is defined by a list in the US EPA's Toxics Release Inventory (TRI) Basis of OSHA Carcinogens document, available at https://www.epa.gov/toxics-release-inventory-tri-program/tri-basis-osha-carcinogens. | fixed list | 24 | 6 | |
POLYCYCLIC AROMATIC HYDROCARBONS (PAHs) | complete | This list is drawn from:
|
other | 95 | 19 | |
Polycyclic Aromatic Hydrocarbons (PAHs) - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 38 | 1 | |
Polyhalogenated alicycles (NAS OFR subclass) | complete | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
20 | 12 | ||
Polyhalogenated aliphatic carboxylate (NAS OFR subclass) | complete | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
6 | 12 | ||
Polyhalogenated aliphatic chains (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated benzene alicycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 4 | 12 |
Polyhalogenated benzene aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 22 | 12 |
Polyhalogenated benzenes (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 20 | 12 |
Polyhalogenated bisphenol aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated carbocycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 40 | 12 |
Polyhalogenated diphenyl ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 19 | 12 |
Polyhalogenated organophosphates (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 38 | 12 |
Polyhalogenated phenol derivatives (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 10 | 12 |
Polyhalogenated phenol-aliphatic ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 14 | 12 |
Polyhalogenated phthalates/benzoates/imides (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 21 | 12 |
Polyhalogenated triazines (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 7 | 12 |
POLYISOCYANATE COMPOUNDS | complete | 07/24/17 | This compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]), subtracting any compounds whose name contains "polymer". This SMARTS search unfortunately captures polymers made from isocyanates, because their structures are often represented by individual monomers. For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification. |
structure | 575 | 3 |
QUATERNARY AMMONIUM COMPOUNDS | complete | 07/09/19 | This compound group was populated from a manual search of the Pharos database. |
other | 120 | 1 |
QUINOLINE STRONG ACID SALTS | complete | 07/09/19 | Strong acid salts are listed at https://comptox.epa.gov/dashboard/dsstoxdb/mixture_search?cid=1798 |
fixed list | 6 | 4 |
Reaction products of 1,3,4-thiadiazolidine-2,5-dithione, formaldehyde and 4-heptylphenol, branched and linear (RP-HP) | complete | 02/27/23 | with ≥0.1% w/w 4-heptylphenol, branched and linear (4-HPbl) |
2 | 5 | |
salts and esters of dinoterb - ECHA | complete | 05/26/23 | ECHA defined chemical group |
fixed list | 1 | 13 |
Salts of 3,3'-dichlorobenzidine | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[ClD1])[ClD1])[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 9 | 11 | |
Salts of 3,3'-dimethoxybenzidine | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])O[CH3])O[CH3])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 8 | |
Salts of 4-aminobiphenyl | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1][CH1]=C([CH1]=[CH1]1)C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 11 | |
salts of 4,4'-carbonimidoylbis[N,N-dimethylaniline] | complete | The IARC monograph Auramine and Auramine Production in volume 99 lists the following commercially relevant salts: sulfate, nitrate, nitrite, acetates, propionates, bromides, iodides, salts of alkyl-, aralkyl-, or arylsulfonic acids, thiocyanates, and phosphates. CASRN were found for sulfate, nitrate and acetate. https://monographs.iarc.fr/wp-content/uploads/2018/06/mono99-9.pdf |
other | 4 | 6 |