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Compound Groups

Compound groups are groups of chemicals that share structural or chemical features. In most cases, hazard lists will assign hazards to individual substances. Compound groups are useful because in some cases, lists will instead identify a group of structurally similar compounds (such as lead compounds) as all having the same hazard. The Pharos staff is in the process of establishing and populating compound groups, and associating warnings from the hazard lists with them. The table below indicates how each compound group is populated, and what is the status of its population.
Compound Groups
COMPOUND GROUP NAME POPULATION STATUS DATE POPULATED DESCRIPTION PROFILE TYPE # MEMBERS # HAZARDS
Bromofluorocarbons incomplete

This compound group has not yet been assigned a structural definition.

other 4 1
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 2
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
Butyl phenols incomplete

Populated from Swedish EPA

http://webapps.kemi.se/flodesanalyser/

other 58 1
Butylbenzyl phthalate and metabolite incomplete This compound group has not yet been assigned a structural definition. other 1 1
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 5 39
cadmium compounds, with the exception of cadmium sulphoselenide, reaction of cadmium sulphide with zinc sulphide, reaction of cadmium sulphide with mercury sulphide, and 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 listed.

340 43
Caramiphen and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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
cellulases 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 0
Cephaeline and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Certain Phthalates (OSPAR) incomplete

DBP and DEHP were added to the OSPAR List of Chemicals for Priority Action in 1998 as part of the group “certain phthalates”. https://www.ospar.org/documents?v=7028

fixed list 4 12
Chloramine T and related compounds, Tosylchloramide sodium (INN) incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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 9 5
Chlorinated biphenyl oxides incomplete This compound group has not yet been assigned a structural definition. other 1 1
CHLORINATED FLAME RETARDANTS (CFRs) incomplete

This compound group has not yet been assigned a structural definition.

functional use 36 8
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 3650 0
CHLORINATED PARAFFINS incomplete This compound group has not yet been assigned a structural definition. other 91 4
CHLORINATED POLYMERS incomplete This compound group has not yet been assigned a structural definition. other 15 1
Chlormethine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Chloroalkyl ethers incomplete This compound group has not yet been assigned a structural definition. other 4 1
Chlorobenzenes (1-6 Chlorines) incomplete

This compound group has not yet been assigned a structural definition.

other 20 6
Chlorobiphenyls that have the molecular formula C12H(10-n)Cln in which "n" is greater than 2 incomplete

This group is populated by taking the POLYCHLORINATED BIPHENYLS (PCBs) group and removing members with 2 chlorine atoms.

217 30
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 25 3
chloronitroanilines incomplete

This compound group has not yet been assigned a structural definition.

structure 1 0
chloronitroanilines 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 6
CHLOROPHENOLS incomplete This compound group has not yet been assigned a structural definition. other 30 4
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
Chromic acid, salts incomplete

This compound group has not yet been assigned a structural definition.

other 2 5
Chromium (VI) compounds, with the exception of barium chromate and of compounds specified elsewhere in Annex VI to 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.

69 41
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 463 0
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
Clarified oils (petroleum), Heavy Fuel oils incomplete This compound group has not yet been assigned a structural definition. other 2 1
Coal distillates incomplete This compound group has not yet been assigned a structural definition. other 6 1
Coal liquids, liquid solvent extraction and solution incomplete This compound group has not yet been assigned a structural definition. other 3 1
Coal tar distillates incomplete This compound group has not yet been assigned a structural definition. other 25 2
Coal tar pitch volatiles (coal tar products) incomplete

This group has not been assigned a structural definition yet.

0 2
Coal tars, coal tar pitches, coal tar oils incomplete

This compound group has not yet been assigned a structural definition.

other 12 4
Cobalt nickel compounds incomplete This compound group has not yet been assigned a structural definition. structure 4 1
Cobalt sulfate heptahydrate (and other soluble cobalt(II) salts) incomplete This compound group has not yet been assigned a structural definition. other 2 1
Cobalt-Tungsten Carbide Powders and Hard Metals incomplete

This compound group has not yet been assigned a structural definition.

0 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
Compounds Potentially Degrading to PFOS incomplete

List extracted from Annex 1 of 

Dossier prepared in support for a nomination of PFOS to the UN-ECE LRTAP Protocol and the Stockholm Convention

The dossier is prepared by the Swedish Chemicals Inspectorate (KemI) and the Swedish EPA, Sweden August 2004

fixed list 94 7
Conjugated estrogens incomplete

This group has not been assigned a structural definition yet.

0 2
Copper compounds incomplete

This compound group is populated with copper metal, and a limited number of copper salts and alloys.

element 7 4
CREOSOTE COMPOUNDS incomplete This compound group has not yet been assigned a structural definition. other 10 3
Creosote oil and creosote oil acenaphthene fractions and distillates incomplete This compound group has not yet been assigned a structural definition. other 5 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.

From https://www.ncbi.nlm.nih.gov/books/NBK304370/#

other 8 7
Cyclic, branched or linear completely fluorinated alkanes incomplete

This group hasn't been assigned a structural definition yet.

0 7
Cyclic, branched or linear completely fluorinated tertiary amines with no unsaturations incomplete

This group hasn't been assigned a structural definition yet.

0 7
Cyclic, branched, or linear completely fluorinated ethers with no unsaturations incomplete

This group hasn't been assigned a structural definition yet.

0 7
Cyclizine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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.

other 3 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
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 1
Dibenzanthracenes incomplete

This group has not been assigned a structural definition yet.

0 2
Diethyl phthalate and metabolite incomplete This compound group has not yet been assigned a structural definition. other 1 1
Diglycidyl ethers of p,p´-bisphenols - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

fixed list 0 0
Diisobutyl phthalate and metabolite incomplete This compound group has not yet been assigned a structural definition. other 1 1
Diisocyanates incomplete 03/26/21

This compound group is from the C2C V4 RSL.

25 3
Diisononyl phthalate (DINP) compounds incomplete

This compound group has not yet been assigned a structural definition.

other 7 14
Dimethyl phthalate and metabolite incomplete This compound group has not yet been assigned a structural definition. other 3 1
Dimethylphenols incomplete This compound group has not yet been assigned a structural definition. other 0 1
Dimevamide and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Dinitro-ortho-cresol (DNOC) salts incomplete This compound group is defined by the SMILES string 'CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. 3 1
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 2
Dinitrotoluenes incomplete This compound group has not yet been assigned a structural definition. other 15 1
Dinoseb salts and esters incomplete

This compound group is defined by the SMILES string 'CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 10 3
Dinoterb salts and esters incomplete

This compound group is defined by the SMILES string 'CC(C)(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 0 6
Dioxethedrin and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
DIOXINS & DIOXIN-LIKE COMPOUNDS incomplete

This compound group has not yet been assigned a structural definition.

other 22 13
Diphenhydramine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Diphenylpyraline and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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 1
Doxylamine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Emetine, its salts and derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Erionite incomplete This compound group has not yet been assigned a structural definition. other 3 1
Eserine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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
Estrogens, steroidal incomplete

This group has not been assigned a structural definition yet.

0 2