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 GROUP NAME POPULATION STATUS DATE POPULATED DESCRIPTION PROFILE TYPE # MEMBERS # HAZARDS
Tail gas (petroleum), processed, distillates and fractions incomplete This compound group has not yet been assigned a structural definition. other 31 0
Tar acids, distillate phenols, crude phenols and other related fractions incomplete This compound group has not yet been assigned a structural definition. other 14 0
Tar bases, coal and other Distillate Bases incomplete This compound group has not yet been assigned a structural definition. other 10 0
Tar oils, coal and oil fractions incomplete This compound group has not yet been assigned a structural definition. other 3 0
Tar, brown-coal incomplete This compound group has not yet been assigned a structural definition. other 2 0
Tars, coal incomplete This compound group has not yet been assigned a structural definition. other 11 0
Tetraalkyl lead compounds in progress

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

One approach would be to use the SMILES string 'C[Pb](*C)(C)C' 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 22 69
Tetrachlorobenzenes complete This compound group has not yet been assigned a structural definition. other 5 7
TETRACYCLINES incomplete This compound group has not yet been assigned a structural definition. other 0 2
THALLIUM (I), SOLUBLE SALTS incomplete This compound group has not yet been assigned a structural definition. other 7 4
Thiazoles incomplete

This compound group is defined by the SMILES string 'C1=CSC=N1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

 other 0 1
Thioglycolates incomplete This compound group has not yet been assigned a structural definition. other 0 2
Thiurams incomplete This compound group has not yet been assigned a structural definition. other 0 1
TIN COMPOUNDS, INORGANIC in progress This compound group is defined by the SMILES string '[Sn]' 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 2 5
Titanium dioxide compounds incomplete

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

 other 10 6
Toluenediisocyanates (MAK list) incomplete

This groups is populated from three chemicals in the MAK list.

 other 0 2
Toxic Heavy Metals incomplete

Compounds containing 

  • Arsenic
  • Cadmium
  • Chromium VI
  • Lead
  • Mercury
 other 5547 1
Trialkyl tin hydroxide incomplete

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

Distinguishing between alkyl and aryl side chains is not straightforward in PubChem's substructure searches. The SMILES string "[CH2][Sn]([CH2])([CH2])[OH]" captures the relevant groups but is not specific enough.

 other 0 5
Trialkyltinhydroxide, salts incomplete

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

 other 0 5
Trialkyltinoxide incomplete

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

 other 0 5
Triaryl tin hydroxide incomplete

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

 other 0 5
Tributyltin 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 118 38
tributyltin compounds, with the exception of those specified elsewhere in this annex incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

 other 119 48
Trichlorobenzenes complete This compound group has not yet been assigned a structural definition. other 4 6
Trichlorophenol and its salts incomplete

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

 other 9 0
Trihalomethanes incomplete This compound group is defined by the SMILES string '[CH]([F,Cl,Br,I])([F,Cl,Br,I])[F,Cl,Br,I]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 4 0
Trimethylbenzene isomers incomplete This compound group has not yet been assigned a structural definition. other 2 1
Trimethylhexamethylene-1,6-di-isocyanates incomplete This compound group has not yet been assigned a structural definition. other 2 0
Trimethylpentane isomers incomplete This compound group has not yet been assigned a structural definition. other 10 1
Trimethyltin 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 2 23
Trinickel, other salts incomplete This compound group has not yet been assigned a structural definition. other 6 0
Triphenyltin 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 3 34
Triphenyltin fatty acid ester (alkyl C=9-11) incomplete This compound group has not yet been assigned a structural definition. other 0 31
Tripropyltin 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 0 20
Uranium 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 3 6
Uranium compounds, insoluble incomplete This compound group has not yet been assigned a structural definition. other 0 2
Uranium compounds, soluble inorganic incomplete This compound group has not yet been assigned a structural definition. other 0 4
Vanadium compounds, inorganic in progress other 250 3
Vinyl halides complete

This compound group is composed of four chemicals so no substructure search is needed to populate it

 other 4 2
Volatile esters of bromoacetic acids incomplete This compound group has not yet been assigned a structural definition. other 0 2
Volatile Methylated Siloxanes (VMS) incomplete

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

 other 9 3
VOLATILE ORGANIC COMPOUNDS incomplete This compound group has not yet been assigned a structural definition. other 1 1
Warfarin, salts incomplete

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

 other 1 5
XYLENE COMPOUNDS incomplete This compound group has not yet been assigned a structural definition. other 16 2
Xylidine isomers incomplete

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

 other 9 1
Xylidines 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 6 6
Zinc Alloys incomplete

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

 other 0 0
Zirconium, insoluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 5
Zirconium, soluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 4