Compound Groups

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

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.

This group has not been assigned a structural definition yet.

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.

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

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

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

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

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

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. 

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/#

This compound group was populated from existing compound groups for the Cradle to Cradle (C2C) RSL.

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

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

This group has not been assigned a structural definition yet.

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

This compound group includes a list of dyes associated with the Color Index list and associated identifiers. It is mainly populated from Comptox's "LIST: Color Index (C.I.) Dyes" and a few others manually added.

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

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

This compound group is defined by the SMILES/SMARTS string "[Co]" and populated from a substructure search of PubChem.. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

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

This group has not been assigned a structural definition yet.

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.

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

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

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

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

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

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

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.

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

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

This compound group is composed of the 5 isomers not explicitly included in Annex VI of Regulation (EC) No 1272/2008 (CLP Regulation). Total number of isomers: monochloroanilines (3 isomers), dichloroanilines (6 isomers), trichloroanilines (6 isomers), tetrachloroanilines (3 isomers) and pentachloroaniline (1 isomer). 

• 3,4-dichloroaniline
• 3,5-dichloroaniline
• 2,3,5-trichloroaniline
• 2,3,6-trichloroaniline
• 2,3,4,6-tetrachloroaniline

The following isomers are not included, because they are listed in the Annex as of 7/9/19:

• 2-chloroaniline
• 3-chloroaniline
• 4-chloroaniline
• 2,3-dichloroaniline
• 2,4-dichloroaniline
• 2,5-dichloroaniline
• 2,6-dichloroaniline
• 3,4-dichloroaniline
• 3,5-dichloroaniline
• 2,4,5-trichloroaniline
• 2,3,4-trichloroaniline
• 3,4,5-trichloroaniline
• 2,4,6-trichloroaniline
• 2,3,4,5-tetrachloroaniline
• 2,3,5,6-tetrachloroaniline
• Pentachloroaniline

This compound group is populated from Apple's Regulated Substances Specification

This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549)

This compound group is populated from Apple's Regulated Substances Specification

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

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).

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

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

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

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.

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

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

This compound group is populated by taking the more general compound group and subtracting the chemicals listed.

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.

This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information.

This compound group is populated by its subgroups.

Populated from Swedish EPA

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