COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
thallium 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. |
6 | 7 | ||
Thioglycolic acid and its salts | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
4 | 1 | |||
thioglycolic acid esters | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
1 | 0 | |||
Toxins derived from Fusarium moniliforme (Fusarium verticillioides) | incomplete | This group has not been assigned a structural definition yet. |
0 | 1 | ||
trialkylamines, trialkanolamines and their salts | 6 | 0 | ||||
triethyltin 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. |
0 | 12 | ||
Trioctyltin 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. |
0 | 18 | ||
Vanadium and compounds, unless water solubility < 4 g Vanadium/l | complete | 5 | 1 | |||
Vanadium Compounds | 8 | 1 | ||||
water soluble zinc salts | 7 | 0 | ||||
Zirconium Compounds | in progress | This compound group is defined by the SMILES string '[Zr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
11 | 2 | ||
ALUMINUM COMPOUNDS | in progress | This compound group is populated from some of the aluminum compounds in Pharos. The AOEC listing is applied to the specific chemicals listed in their database rather than the entire group. |
element | 85 | 4 | |
Antimony Compounds | complete | 06/06/18 | This compound group is defined by the SMILES string '[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 955 | 19 |
ARSENIC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 2299 | 32 | |
BARIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 55 | 5 | |
BERYLLIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Be]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This definition is based on the scope of the IARC listing, most recently in monograph 100C: "Synonyms and molecular formulae for beryllium, beryllium–aluminium and beryllium– copper alloys, and certain beryllium compounds are presented in Table 1.1. The list is not exhaustive, nor does it comprise necessarily the most commercially important beryllium-containing substances; rather, it indicates the range of beryllium compounds available." |
element | 139 | 16 | |
BORON COMPOUNDS | incomplete | This compound group is defined by the SMILES string '[B]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 236 | 3 | |
CADMIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Cd]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 498 | 39 | |
Cerium Compounds | complete | 07/31/18 | This compound group is defined by the SMILES string '[Ce]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 349 | 1 |
CHROMIUM (III) COMPOUNDS | complete | 11/17/17 | This compound group is defined by the SMILES string '[Cr+3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 374 | 5 |
Chromium Compounds | incomplete | This compound group is defined by the SMILES string '[Cr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 525 | 2 | |
COBALT COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Co]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 491 | 21 | |
Copper compounds | incomplete | This compound group is populated with copper metal, and a limited number of copper salts and alloys. |
element | 7 | 4 | |
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 | 494 | 1 |
Hafnium compounds | in progress | This compound group is defined by the SMILES string '[Hf]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1 | 1 | |
LEAD COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Pb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1143 | 40 | |
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 | 4 |
MERCURY COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Hg]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1348 | 33 | |
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 | 375 | 4 |
NICKEL COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ni]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1124 | 24 | |
ORGANOTIN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 916 | 7 | |
SELENIUM COMPOUNDS | complete | 08/15/16 | This compound group is defined by the SMILES string '[Se]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 3202 | 8 |
Strontium compounds | incomplete | This compound group is defined by the SMILES string '[Sr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 0 | 2 | |
Thallium Compounds | complete | 07/30/18 | This compound group is defined by the SMILES string '[Tl]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 216 | 3 |
Tin Compounds | incomplete | This compound group is defined by the SMILES string '[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 920 | 2 | |
Uranium compounds | in progress | This compound group is defined by the SMILES string '[U]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 6 | 2 | |
ZINC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Zn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 87 | 8 | |
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silanetriol and any of its mono-, di- or tri-O-(alkyl) derivatives | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 2 | |
(R)-1-(2-Piperidyl)acetone | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
1-Methoxy-2,4-diaminobenzene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
1-Octanesulfonamide, heptadecafluorinated compounds and salts | incomplete | This compound group is defined by the SMILES string 'C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 14 | 1 | |
11-α-Hydroxypregn-4-ene-3,20-dione and its esters | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2-(4-Allyl-2-methoxyphenoxy)-N,N-diethylacetamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2-Methylheptylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2,4-Diaminophenylethanol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2,4,5-T salts and esters | incomplete | This compound group is defined by the SMILES string 'C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 7 | |
2,7-Naphthalenedisulfonic acids (and salts of) | incomplete | This compound group is defined by the SMILES string 'C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 593 | 1 | |
4-Ethoxy-m-phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4-Methoxy-m-phenylenediamine and its sulfate salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4-Methyl-m-phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4,4'-Methylenedianiline, 4,4'-Diaminodiphenylmethane (MDA) | incomplete | This compound group is defined by the SMILES string 'C1=CC(=CC=C1CC2=CC=C(C=C2)N)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3 | 1 | |
Acetylcholine and its salts, (2-Acetoxyethyl)trimethylammonium hydroxide | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
ACRYLATES | complete | 08/14/19 | This compound group is defined by the SMILES/SMARTS string 'OC(=O)[CD2]=[CD1]' and limited to compounds with a molecular weight < 200 Da. The molecular weight cutoff is arbitrary, but is intended to capture the bulk of the compounds with potential to be used commercially / as monomers without including an overwhelming number of compounds. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 434 | 3 |
alkali salts and alkali earth salts of thiocyanic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Alkylpyrrolidones | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 7 | 0 | |
Alloclamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Aluminium zirconium chloride hydroxide glycine complexes | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 0 | |
Amitriptyline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Amylocaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
Antimony Compounds, Organic | complete | 06/06/18 | This compound group is defined by the SMILES string 'C[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 239 | 19 |
Apomorphine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Arsenic Acid Salts | complete | 08/15/16 | This compound group is defined by the SMILES string 'O[As](=O)(O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 126 | 42 |
ARSENIC COMPOUNDS, ORGANIC | complete | 08/15/16 | This compound group is defined by the SMILES string 'C[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 1566 | 33 |
Azacyclonol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Bendroflumethiazide and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Benzatropine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
BENZIDINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][C](=[CH][CH]=C1C2=[CH][CH]=[C]([CH]=[CH]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 39 | 9 | |
Betoxycaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Biphenamine and its salts, 2-Diethylaminoethyl 3-hydroxy-4-phenylbenzoate | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Brominated Organic Compounds | incomplete | This compound group is defined by the SMILES string 'C[Br]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 955 | 3 | |
Bromoxynil salts | incomplete | This compound group is defined by the SMILES string 'C1=C(C=C(C(=C1Br)O)Br)C#N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 0 | |
Brompheniramine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Butanilicaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Butopiprine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Butyltin compounds | in progress | This compound group is populated by its subgroups. |
structure | 211 | 8 | |
Caramiphen and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cephaeline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Chloramine T and related compounds, Tosylchloramide sodium (INN) | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Chlorinated Organic Compounds | incomplete | This compound group is defined by the SMILES string 'C[Cl]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 3834 | 3 | |
Chlormethine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
chloronitroanilines | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Chloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 5 | 1 | |
Chlorprothixene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Choline salts and their esters | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Cinchocaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cinchophen, its salts, derivatives and salts of these derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Cobalt nickel compounds | incomplete | This compound group has not yet been assigned a structural definition. | structure | 4 | 1 | |
Colchicine, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Colchicoside and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Colouring agent CI 12075 | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 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 | 38 | 8 | |
Cyclizine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cyclomenol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cyclophosphamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Decamethonium bromide | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dextromethorphan and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dibutyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCC[Sn]CCCC.CCCC[Sn]CCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 83 | 14 | |
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 | 11 |
Dimevamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 |