| COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
|---|---|---|---|---|---|---|
| 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 | 1 | |
| Extract residues (coal), and other fractions and distillation residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
| Extracts (petroleum) and realted distillates and unspecified fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 27 | 1 | |
| 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 | 43 | 2 | |
| Fluorides | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
| 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 | 1 | |
| 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 | 775 | 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 | 7 | 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 | 1 | |
| 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 | 1 | |
| Gas oils (petroleum), treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
| Gases (petroleum), refined, and recovered Refinery gasses | incomplete | This compound group has not yet been assigned a structural definition. | other | 88 | 1 | |
| Gasoline (automotive, refined, processed, recovered, and other unspecified fractions) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
| 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 | 9 | 3 | |
| Glycol ethers acetate | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
| 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 | 6 | 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 | 2 | |
| Hexahydrophthalic anhydride and isomer group | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
| Hexane isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 2 | |
| Hexane, 1,6-diisocyanato-, homopolymer, reaction products with alpha-fluoro-omega-2-hydroxyethyl-poly(difluoromethylene), C16-20-branched alcohols and 1-octadecanol | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
| Highly Fluorinated Substances | incomplete | The chemicals in this list are taken from many sources, including:
|
other | 4919 | 1 | |
| Hydrazines | incomplete | This compound group is populated from its subgroups, which include methylhydrazines, dimethyl hydrazines, and phenylhydrazines https://www.cdc.gov/niosh/topics/cancer/npotocca.html |
other | 15 | 2 | |
| Hydrobromofluorocarbons | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 58 | 1 | |
| Hydrocarbons, treated and distilled, various fractions and residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 58 | 1 | |
| HYDROCHLOROFLUOROCARBONS (HCFC) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 118 | 3 | |
| Hydrofluorocarbons (HFC), short-chain | incomplete | This compound group has not yet been assigned a structural definition. | other | 21 | 1 | |
| Hydrofluorocarbons (HFCs) | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 30 | 0 | |
| Hydroxy-Chlorobiphenyls | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
| Hydroxylamine salts | in progress | This compound group is defined by the SMILES string '[NH3+]O.[*-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 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 | 238 | 2 |
| Inorganic chloramines | incomplete | This compound group has not yet been assigned a structural definition. The following three SMARTS strings would be expected to capture all chloramines but there are unknown errors when searching PubChem [ND1][ClD1] plus [ClD1][ND2][ClD1] plus [ClD1][ND3]([ClD1])[ClD1] For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 3 | 1 | |
| 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 | 20 | 12 |
| Inorganic silver, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
| Inorganic zinc, salts | in progress | This compound group is defined by the SMILES string '[ZnD0]' subtracting '[ZnD0].C' . For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 2 | |
| Ioxynil salts | complete | 07/30/18 | This compound group has not yet been assigned a structural definition. |
other | 11 | 2 |
| Iron salts (soluble) | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
| Isoeugenol Isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
| Jet Fuels, JP-4, JP-5, JP-7 and JP-8 | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
| Lasalocid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
| lead compounds with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
other | 823 | 43 | |
| Lead compounds with the exception of those specified elsewhere in Annex XVII of Regulation (EC) No 1907/2006 | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
other | 823 | 37 | |
| LEAD COMPOUNDS, ALKYL | incomplete | This compound group has not yet been assigned a structural definition. One approach would be to use the SMILES string 'C[Pb]' and remove substances containing 'c[Pb]' (lowercase specifies aromatic). There are technical challenges since PubChem doesn't seem to provide an option to distinguish between aromatic and aliphatic carbons. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 110 | 50 | |
| LEAD COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Pb]' 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 | 286 | 44 | |
| Lubricating oils (petroleum), various treated, extracted fracions, Baseoil - unspecified | incomplete | This compound group has not yet been assigned a structural definition. | other | 14 | 1 | |
| Lubricating oils, - used, distilled, refined used, and treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 1 | |
| magnesium alkyls | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
| magnesium salts, fatty acids, C16-18 and C18 unsaturated, branched and linear | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
| Malachite green salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
| Manganese Compounds, soluble | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 4 | |
| MERCURY COMPOUNDS, ALKYL | incomplete | This compound group has not yet been assigned a structural definition. Substructure searches in PubChem cannot easily distinguish between aliphatic and aromatic carbons. If it could, the compound group would be defined by the SMILES string 'C[Hg]' and subsequently filtered to remove substances containing 'c[Hg]' (lowercase specifies aromatic). For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 474 | 29 | |
| MERCURY COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Hg]' 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 | 121 | 31 | |
| metal salts of thiocyanic acid, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
other | 0 | 5 | |
| Methacrylates | incomplete | This compound group is defined by the SMILES string 'CC(=C)C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 35 | 2 | |
| METHYLENE DIPHENYL DIISOCYANATE (MDI) COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 4 | |
| Monensin, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
| monoalkyl or monoaryl or monoalkyaryl esters of methacrylic acid | incomplete | This compound group has not yet been assigned a structural definition. |
other | 1 | 0 | |
| monoalkyl or monoaryl or monoalkylaryl esters of acrylic acid | incomplete | This compound group has not yet been assigned a structural definition. |
other | 1 | 0 | |
| monoalkyl or monoaryl or monoalkylaryl esters of acrylic acid with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
other | 0 | 4 | |
| Monohalomethanes | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
| N-Alkyl toluidine | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
| N-Alkyl toluidine, salts | incomplete | This compound group has not yet been assigned a structural definition. Because of the heterogeneity of the alkyl groups, populating this group through a structural search may not be feasible. As a starting point, the following three structures get close but do not constrain the alkyl group properly (o, m, p): [CH3]C1=C([CH1]=[CH1][CH1]=[CH1]1)[ND2][CH2] plus [CH1]1=C([CH1]=C([CH1]=[CH1]1)[CH3])[ND2][CH2] plus [CH1]1=C([CH1]=[CH1]C(=[CH1]1)[CH3])[ND2][CH2] |
other | 3 | 4 | |
| Naphtha (petroleum), treated fractions, - unspecified | incomplete | This compound group has not yet been assigned a structural definition. | other | 64 | 1 | |
| Naphthenic oils (petroleum), dewaxed light and heavy, Baseoil - unspecified | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
| Natural gas (petroleum), condensates - unspecified | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 1 | |
| Nickel (soluble compounds) | incomplete | other | 0 | 1 | ||
| Nickel acetate similar soluble salts | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 23 | |
| Nickel bis(sulfate)s | incomplete | This compound group is defined by the SMILES string '[Ni+2].[O-]S(=O)(=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 2 | 1 | |
| Nickel borides | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 1 | |
| Nickel carbonates | incomplete | This compound group is defined by the SMILES string '[Ni+2].C(=O)([OX1-])[OX1-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 5 | 1 | |
| Nickel compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Ni]' subtracting '[Ni].C'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 14 | 2 | |
| NICKEL COMPOUNDS, INSOLUBLE | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 22 | |
| NICKEL COMPOUNDS, SOLUBLE | incomplete | This group was populated based on: http://www.osha.gov/SLTC/healthguidelines/nickelsolublecompounds/recognition.html | other | 4 | 23 | |
| Nickel formates | incomplete | This compound group is defined by the SMILES string '[Ni+2].[CH1](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 3 | 1 | |
| Nickel halides | incomplete | This compound group is defined by the SMILES string '[Ni+2].[F,Cl,Br,I;X0-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 4 | 1 | |
| Nickel hydroxides | incomplete | This compound group is defined by the SMILES string '[Ni+2].[OX1H-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 3 | 1 | |
| Nickel nitrates | incomplete | This compound group is defined by the SMILES string '[Ni+2].[N+](=O)([O-])[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 3 | 1 | |
| Nickel oxalates | incomplete | This compound group is defined by the SMILES string '[Ni+2].C(=O)(C(=O)[O-])[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 2 | 1 | |
| Nickel phosphates and phosphinates | incomplete | This compound group is defined by the SMILES string 'Phosphate: [O-]P(=O)([O-])[O-].[Ni+2] Phosphide...'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 7 | 1 | |
| Nickel phosphides | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
| Nickel silicates | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 1 | |
| Nickel silicides | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
| Nitrilotriacetic acid sodium salts | incomplete | This compound group is defined by the SMILES string 'C(C(=O)O)N(CC(=O)O)CC(=O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 5 | 2 | |
| Nitro PAHS | incomplete | This compound group has not yet been assigned a structural definition. | other | 9 | 1 | |
| Nitrophenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
| Nitropyrene compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
| Nitrosamines | incomplete | This compound group is defined by the SMILES string 'NN=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 23 | 1 | |
| nitrotoluidines, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
other | 0 | 5 | |
| Nitrous acid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 |