COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Asbestos compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 28 | 12 | |
Asbestos Fibers | complete | 06/04/18 | This compound group has not yet been assigned a structural definition. |
other | 12 | 12 |
Barium compounds, soluble | complete | 03/09/20 | This compound group is populated from a list of soluble Barium compounds in https://www.atsdr.cdc.gov/toxprofiles/tp24-c4.pdf. |
other | 11 | 7 |
Benzene, Halogenated derivatives | incomplete | This compound group has not yet been assigned a structural definition. | other | 25 | 3 | |
Benzenediamine, N,N'-mixed (phenyl, tolyl and xylyl derivatives of) | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Benzenedicarboxylic acid, branched and linear alkyl esters | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
Benzenesulfonic acid, and other substituted compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 0 | |
BENZIDINE-BASED DYES | incomplete | This compound group has not yet been assigned a structural definition. | other | 49 | 19 | |
Benzo[b]thiophen-3(2H)-one, (and related compounds) | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 0 | |
Benzodiazepines | incomplete | This compound group has not yet been assigned a structural definition. |
other | 3 | 2 | |
Beryllium inorganic compounds | in progress | This compound group is defined by the SMILES string '[Be]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 3 | |
Bisphenol A (BPA) Structural Analogues | incomplete | This compound group was populated in part from chemicals in the NTP Research Report on Biological Activity of Bisphenol A (BPA) Structural Analogues and Functional Alternatives: Research Report 4, National Toxicology Program, October 2017. https://ntp.niehs.nih.gov/ntp/results/pubs/rr/reports/rr04_508.pdf
The following chemicals were incorporated from HBN research:
|
other | 35 | 1 | |
Blasticidin-S, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
Bromofluorocarbons | incomplete | This compound group has not yet been assigned a structural definition. |
other | 8 | 1 | |
Butyl phenols | incomplete | Populated from Swedish EPA http://webapps.kemi.se/flodesanalyser/ |
other | 62 | 3 | |
Butylbenzyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Cadmium compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Cd]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 195 | 51 | |
Cadmium Compounds, Soluble | incomplete | This compound group is populated from Table 1-1 of NTP Report on Carcinogens 1997 Background Document for Cadmium at https://ntp.niehs.nih.gov/ntp/newhomeroc/other_background/cadmium_508.pdf. |
other | 10 | 49 | |
Carboxylic acids (higher fatty acids) barium salts | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Cartap, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
CCRIS 33 and 28 | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 2 | |
Chlordimeform, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
Chloric acid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
Chlorinated Alkanes (C10-20, Environment Canada) aka Chlorinated Paraffins | incomplete | This compound group is chlorinated alkanes that have the molecular formula CnHxCl(2n+2–x) in which 10 ≤ n ≤ 20 (definition used by Environment Canada). |
other | 36 | 11 | |
Chlorinated biphenyl oxides | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 7 | |
CHLORINATED PARAFFINS | incomplete | This compound group has not yet been assigned a structural definition. | other | 117 | 10 | |
CHLORINATED POLYMERS | incomplete | This compound group has not yet been assigned a structural definition. | other | 119 | 7 | |
Chloroalkyl ethers | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 0 | |
Chlorobenzenes (1-6 Chlorines) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 22 | 6 | |
Chloroethanes | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 2 | |
CHLOROFLUOROCARBONS (CFC) | incomplete | This compound group has not yet been assigned a structural definition. A structural search would require eliminating compounds containing carbon-hydrogen bonds, which is challenging. |
other | 45 | 4 | |
CHLOROPHENOLS | incomplete | This compound group has not yet been assigned a structural definition. | other | 33 | 3 | |
Chlorotoluenes | complete | 05/01/17 | This compound group has not yet been assigned a structural definition. |
other | 15 | 5 |
Chromic acid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 6 | 5 | |
CHROMIUM (VI) COMPOUNDS | complete | 11/17/17 | This compound group is defined by the SMILES string '[Cr+6]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 152 | 44 |
Clarified oils (petroleum), Heavy Fuel oils | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Coal distillates | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
Coal liquids, liquid solvent extraction and solution | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
Coal tar distillates | incomplete | This compound group has not yet been assigned a structural definition. | other | 25 | 1 | |
Coal tars, coal tar pitches, coal tar oils | incomplete | This compound group has not yet been assigned a structural definition. |
other | 12 | 5 | |
Cobalt sulfate heptahydrate (and other soluble cobalt(II) salts) | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
CREOSOTE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 13 | 6 | |
Creosote oil and creosote oil acenaphthene fractions and distillates | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 0 | |
Cresol isomers | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
Crimidine, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
CRYSTALLINE SILICAS - RESPIRABLE | incomplete | The various forms of crystalline silica are: α-quartz, β-quartz, α-tridymite, β-tridymite, α-cristobalite, β-cristobalite, keatite, coesite, stishovite, and moganite. NIOSH (2002)....Keatite, coesite, stishovite, and moganite are rarely found in nature. The most commonly occurring polymorphs are quartz, cristobalite and tridymite, which are found in rocks and soil. NIOSH Hazard Review: Health Effects of Occupational Exposure to Respirable Crystalline Silica (DHHS (NIOSH) Publication No. 2002–129). Cincinnati, OH, 145 pp. |
other | 9 | 8 | |
Cyclohexane-1,2-dicarboxylic anhydrides | incomplete | This compound group is defined by the SMILES string 'C1CCC2C(C1)C(=O)OC2=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. ECHA chemical group parent: all possible combinations of the cis- and trans-isomers |
other | 3 | 3 | |
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 | |
Diazonium salts | incomplete | This compound group is defined by the SMILES string 'C=[N+]=[N-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 602 | 2 | |
DIBENZOFURAN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C1=CC=C2C(=C1)C3=CC=CC=C3O2'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 19 | 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 | 1 | |
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 | |
Diethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Diisobutyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 0 | |
Diisononyl phthalate (DINP) compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 16 | |
Dimethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 0 | |
Dimethylphenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 0 | |
Dinitro-ortho-cresol (DNOC), salts | in progress | This compound group is defined by the SMILES string '[CH3]C1=[CH]C(=[CH]C(=C1[OH])[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 10 | |
Dinitrobenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
Dinitronaphthalene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Dinitrophenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 9 | 1 | |
Dinitrotoluenes | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
DIOXINS & DIOXIN-LIKE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. |
other | 22 | 13 | |
Dithiocarbamates | incomplete | This compound group is defined by the SMARTS string 'C(=[SD1])([ND1])[SD1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Dodecyl phenols | incomplete | Populated from Swedish EPA http://webapps.kemi.se/flodesanalyser/ |
other | 8 | 3 | |
Erionite | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
esters of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
esters of mecoprop and of mecoprop-P | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
Ethylene amines | incomplete | This compound group is defined by the SMILES string 'C(CN)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 12 | 1 | |
ethylenediammonium O,O-bis(octyl) phosphorodithioate, mixed isomers | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
Extract oils (coal), coal-tar residual pyrolysis oils, and other distillate fractions, residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 0 | |
Extract residues (coal), and other fractions and distillation residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Extracts (petroleum) and realted distillates and unspecified fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 26 | 0 | |
Fluoride compounds, Inorganic | in progress | This compound group is defined by the SMILES string '[F]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 46 | 2 | |
Fluorides | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
fluoroacetates, soluble | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
Fluoroaceticacid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
fluorosilicates | incomplete | This compound group has not yet been assigned a structural definition. |
other | 2 | 0 | |
Foots oil (petroleum) and other treated and untreated Foots oil | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 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 | 1163 | 2 |
Formaldehyde compounds, Urea formaldehyde based | incomplete | This compound group was populated with chemicals in Pharos with both "urea" and "formaldehyde" in the name. |
other | 164 | 5 | |
Fuel gases | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Fuel oils, high-sulfur, Heavy Fuel oil, (and other residual oils) | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
FURANS | incomplete | This compound group is defined by the SMILES string 'C1=COC=C1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Gas oils (oil sand) (and hydrotreated) | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Gas oils (petroleum), treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Gases (petroleum), refined, and recovered Refinery gasses | incomplete | This compound group has not yet been assigned a structural definition. | other | 88 | 0 | |
Gasoline (automotive, refined, processed, recovered, and other unspecified fractions) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 0 | |
Glycidyl ethers | incomplete | This compound group has not yet been assigned a structural definition. The SMILES string "COCC1CO1" captures all glycidyl ethers but is not specific enough as the only filter. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 2 | 2 | |
GLYCOL ETHERS | incomplete | This compound group has not yet been assigned a structural definition. | other | 3479 | 4 | |
Glycol ethers acetate | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Glymes | incomplete | This compound group is defined by the SMILES string 'COCCOC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 6 | 0 | |
Gold compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Au]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 1 | |
HALONS GROUP | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 0 | |
Hexahydromethylphthalic anhydride and its isomers | incomplete | This compound group is defined by the SMILES string 'C1CCC2C(C1)C(=O)OC2=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This isomer group populated from SIN List 2.1 | other | 5 | 1 |