COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Organohalogen Flame Retardants - NAS OFR expanded set | complete | 02/12/24 | This compound group is populated from "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants" by National Academies of Sciences, Engineering, and Medicine. The committee identified a set of 1073 analogue compounds as "expanded set" based on combined functional, structural, and predicted bioactivity information. The subclasses from the seed list used to expand this list are also in Pharos:
|
fixed list | 1084 | 1 |
Halogenated Solvents | complete | 08/17/23 | This compound group is populated by selecting halogenated solvents (excluding salts) from GSPI's Six Classes of Problematic Chemicals - Some Solvents List. |
fixed list | 973 | 5 |
PFAS soluable in DMSO - EPAPFASIV | complete | 08/14/23 | This compound group is populated from EPAPFASIV's list. EPA filtered several publicly available PFAS lists to exclude most high (>500) and low (<50) molecular weight compounds, aromatic compounds, metal-containing compounds, and chemicals with a low ratio of fluorine to carbon. The PFAS chemicals in this list are in the current inventory found to be soluble in DMSO. |
fixed list | 437 | 14 |
Boric Acid and its salts, Sodium borate, MIPA-Borate, MEA-Borate | in progress | 08/07/23 | C2C v4 |
21 | 1 | |
Color Index (C.I.) Dyes | complete | 07/19/23 | 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. |
functional use | 2172 | 0 |
Pigments containing or manufactured with chlorine | complete | 07/19/23 | This compound group is populated with ChemForward's inadvertent PCB (iPCB) Pigment Resources - pigments with "Yes" for "Contains Chlorine?" or a "Yes" for "Manufactured using chlorine solvent?". |
fixed list | 177 | 0 |
Phenol, isopropylated, phosphate (3:1) - EPA PBT | complete | 07/12/23 | EPA's background information about PBT define this compound group as a family of structures in which each of the three aryl groups have at least one isopropyl group: Tris(3-isopropylphenyl) phosphate, Tri(isopropylphenyl) phosphate, Tri(4-isopropylphenyl) phosphate |
fixed list | 3 | 1 |
mecoprop-P and its salts | in progress | 06/23/23 | ECHA defined chemical group |
fixed list | 1 | 4 |
salts and esters of dinoterb - ECHA | complete | 05/26/23 | ECHA defined chemical group |
fixed list | 1 | 13 |
salts of aniline - ECHA chemical group | complete | 05/26/23 | fixed list | 11 | 13 | |
salts of hydrazine - ECHA | complete | 05/26/23 | ECHA defined chemical group |
fixed list | 33 | 19 |
zinc chromates including zinc potassium chromate - ECHA | complete | 05/26/23 | ECHA defined chemical group |
fixed list | 12 | 5 |
2-ethylhexanoic acid and its salts, with the exception of those specified elsewhere in this Annex | complete | 05/22/23 | ECHA defined chemical group |
fixed list | 10 | 4 |
Metal salts of 2-ethylhexanoic acid | complete | 05/22/23 | ECHA defined chemical group |
fixed list | 9 | 4 |
halogenated monomethyldiphenylmethanes - UN Transport of Dangerous Goods | complete | 04/28/23 | 3 | 1 | ||
Perfluoroheptanoic acid and its salts | 04/24/23 | ECHA defined chemical group |
4 | 10 | ||
Petroleum Process Streams | complete | 03/10/23 | EPA's Partially Exempt Petroleum Process Streams list from EPA's Chemical Data Reporting: https://www.epa.gov/chemical-data-reporting/partially-exempt-petroleum-process-streams |
fixed list | 636 | 0 |
4-(1,1,3,3-tetramethylbutyl)phenol, ethoxylated (ECHA defined) | in progress | 03/01/23 | ECHA chemical group parent: covering well-defined substances and UVCB substances, polymers and homologues |
51 | 7 | |
4-Nonylphenol, branched and linear (ECHA defined) | in progress | 03/01/23 | ECHA chemical group parent: substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof
|
16 | 33 | |
Hexahydromethylphthalic anhydride (EHCA defined) | in progress | 03/01/23 | ECHA chemical group parent: including cis- and trans- stereo isomeric forms and all possible combinations of the isomers |
4 | 4 | |
1,2-benzenedicarboxylic acid, di-C6-10-alkyl esters or mixed decyl and hexyl and octyl diesters | complete | 02/27/23 | with ≥ 0.3% of dihexyl phthalate (EC No. 201-559-5) |
2 | 5 | |
1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (“Dechlorane Plus”™) | complete | 02/27/23 | covering any of its individual anti- and syn-isomers or any combination thereof |
11 | 4 | |
2-(4-tert-butylbenzyl)propionaldehyde and its individual stereoisomers | complete | 02/27/23 | 2 | 5 | ||
2,2-bis(bromomethyl)propane-1,3-diol (BMP); 2,2-dimethylpropan-1-ol, tribromo derivative/3-bromo-2,2-bis(bromomethyl)-1-propanol (TBNPA); 2,3-dibromo-1-propanol (2,3-DBPA) | complete | 02/27/23 | 6 | 4 | ||
4-heptylphenol, branched and linear | complete | 02/27/23 | substances with a linear and/or branched alkyl chain with a carbon number of 7 covalently bound predominantly in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof |
other | 25 | 6 |
4-Nonylphenol, branched and linear, ethoxylated - ECHA | complete | 02/27/23 | substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, ethoxylated covering UVCB- and well-defined substances, polymers and homologues, which include any of the individual isomers and/or combinations thereof |
229 | 38 | |
5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2] | complete | 02/27/23 | full chemical name: 5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2] |
16 | 7 | |
Dioctyltin dilaurate, stannane, dioctyl-, bis(coco acyloxy) derivs., and any other stannane, dioctyl-, bis(fatty acyloxy) derivs. wherein C12 is the predominant carbon number of the fatty acyloxy moiety | complete | 02/27/23 | 3 | 5 | ||
dioctyltin dilaurate; stannane, dioctyl-, bis(coco acyloxy) derivs. (ECHA defined) | complete | 02/27/23 | 2 | 5 | ||
Hexabromocyclododecane (HBCDD) | complete | 02/27/23 | Hexabromocyclododecane (HBCDD) and all major diastereoisomers identified |
7 | 17 | |
Medium-chain chlorinated paraffins (MCCP) | complete | 02/27/23 | UVCB substances consisting of more than or equal to 80% linear chloroalkanes with carbon chain lengths within the range from C14 to C17 |
4 | 13 | |
Nonadecafluorodecanoic acid (PFDA) and its sodium and ammonium salts | complete | 02/27/23 | 3 | 4 | ||
Orthoboric acid, sodium salt (group) | complete | 02/27/23 | 6 | 4 | ||
Perfluorohexanesulfonic acid and its salts (PFHxS) | complete | 02/27/23 | 37 | 22 | ||
PFNA, Perfluorononan-1-oic-acid and its sodium and ammonium salts | complete | 02/27/23 | other | 3 | 5 | |
Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) | complete | 02/27/23 | full name: Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) |
3 | 8 | |
Reaction products of 1,3,4-thiadiazolidine-2,5-dithione, formaldehyde and 4-heptylphenol, branched and linear (RP-HP) | complete | 02/27/23 | with ≥0.1% w/w 4-heptylphenol, branched and linear (4-HPbl) |
2 | 5 | |
tris(branched and linear 4-nonylphenyl) phosphite [with ≥ 0.1% w/w of branched and linear 4-nonylphenol] | complete | 02/27/23 | 9 | 6 | ||
Crude and refined coal tars | complete | 04/01/21 | This compound group was populated from existing compound groups for the Cradle to Cradle (C2C) RSL. |
48 | 1 | |
Gold salts | complete | 04/01/21 | This compound group was populated using a substructure search of PubChem using the SMILES string [Au]. |
element | 495 | 1 |
Diisocyanates | incomplete | 03/26/21 | This compound group is from the C2C V4 RSL. |
25 | 6 | |
C1-C4 Halogenated Hydrocarbons (TRI Category) | 03/09/21 | 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. |
fixed list | 343 | 4 | |
Diisocyanates (TRI Category) | 03/09/21 | 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. |
fixed list | 24 | 7 | |
Dioxin and Dioxin-like Compounds (TRI Category) | 03/09/21 | 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. |
fixed list | 17 | 19 | |
Hexabromocyclodecane (TRI Category) | 03/09/21 | 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. |
fixed list | 4 | 2 | |
Nonphenol Ethoxylates (TRI Category) | 03/09/21 | 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. |
fixed list | 205 | 35 | |
Nonphenols (TRI Category) | 03/09/21 | 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. |
fixed list | 9 | 30 | |
Polycyclic Aromatic Compounds (TRI Category) | 03/09/21 | 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. |
fixed list | 31 | 7 | |
Chlorinated Organic Solvents in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 20 | 2 |
Hydrofluorocarbons (HFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549)
|
fixed list | 19 | 1 |
Ozone Depleting Chemicals (ODCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 209 | 3 |
Perfluorocarbons (PFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 9 | 1 |
Perfluorooctane Sulfonates (PFOS) and PFOS salts in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 28 | 2 |
Azocolourants and Azodyes | complete | 10/16/20 | This compound group is populated from multiple sources, including the AZODYES chemical list at https://comptox.epa.gov/dashboard/chemical_lists/AZODYES. |
functional use | 346 | 2 |
inorganic sulfites and bisulfites | incomplete | 09/01/20 | structure | 7 | 0 | |
National Health and Nutrition Examination Survey (NHANES) Chemical List | complete | 07/27/20 | This list was copied from https://comptox.epa.gov/dashboard/chemical_lists/NHANES2019 |
fixed list | 516 | 0 |
US CDC National Report on Human Exposure to Environmental Chemicals List | incomplete | 07/27/20 | CASRN were manually assigned based on the chemical list at https://www.cdc.gov/exposurereport/pdf/Report_Chemical_List-508.pdf The reports are available at https://www.cdc.gov/exposurereport/index.html Executive summary: https://www.cdc.gov/exposurereport/pdf/FourthReport_ExecutiveSummary.pdf Spreadsheet indicating which chemicals have not been assigned CASRN / included: https://docs.google.com/spreadsheets/d/1cUDY8uAy7lUdYpJ4iGw7bC2sVq23k1A9BhEEHaPqLSw/edit#gid=575529260 |
fixed list | 941 | 0 |
Oxazolidine formaldehyde releasers | in progress | 06/03/20 | This compound group was populated by a manual search. |
functional use | 4 | 0 |
Formaldehyde Donors | complete | 05/29/20 | This compound group is populated from a list of chemicals in an ECHA Investigation Report - Formaldehyde and Formaldehyde Releasers as well as manual searches. Report downloaded from https://echa.europa.eu/documents/10162/13641/annex_xv_report_formaldehyde_en.pdf/58be2f0a-7ca7-264d-a594-da5051a1c74b 149-44-0 (Sodium formaldehyde sulfoxylate) was added based on suggestion by GreenSeal, citing https://pubchem.ncbi.nlm.nih.gov/compound/Sodium-hydroxymethanesulfinate and https://www.fishersci.com/store/msds?partNumber=AC149190250&productDescription=SODIUM+FORMALDEHYDESULFO+25KG&vendorId=VN00032119&countryCode=US&language=en |
functional use | 187 | 1 |
Polychlorophenols and their sodium salts | 04/13/20 | 9 | 2 | |||
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 | 22 | 13 |
Barium compounds, soluble | complete | 03/09/20 | This compound group is populated from a list of soluble Barium compounds in https://www.atsdr.cdc.gov/toxprofiles/tp24-c4.pdf. |
other | 11 | 7 |
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 | 435 | 3 |
ARISTOLOCHIC ACIDS | complete | 07/09/19 | Aristolochic Acid I and II are the most common. |
fixed list | 3 | 7 |
QUATERNARY AMMONIUM COMPOUNDS | complete | 07/09/19 | This compound group was populated from a manual search of the Pharos database. |
other | 120 | 1 |
QUINOLINE STRONG ACID SALTS | complete | 07/09/19 | Strong acid salts are listed at https://comptox.epa.gov/dashboard/dsstoxdb/mixture_search?cid=1798 |
fixed list | 6 | 4 |
TAMOXIFEN SALTS | complete | 07/08/19 | The citrate salt appears to be the only commonly available salt |
fixed list | 2 | 2 |
Di- and triether of alkanediols and -triols (C3-C8, linear and branched) with epichlorohydrin (content of free epichlorohydrin < 20 ppm, not characterized as H351 or H350) | complete | 06/17/19 | fixed list | 16 | 0 | |
Polyhalogenated aliphatic chains (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated benzene alicycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 4 | 12 |
Polyhalogenated benzene aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 22 | 12 |
Polyhalogenated benzenes (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 20 | 12 |
Polyhalogenated bisphenol aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated carbocycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 40 | 12 |
Polyhalogenated diphenyl ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 19 | 12 |
Polyhalogenated organophosphates (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 38 | 12 |
Polyhalogenated phenol derivatives (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 10 | 12 |
Polyhalogenated phenol-aliphatic ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 14 | 12 |
Polyhalogenated phthalates/benzoates/imides (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 21 | 12 |
Polyhalogenated triazines (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 7 | 12 |
Halogenated Flame Retardants (HFRs) | incomplete | 05/01/19 | This compound group is populated by its subgroups, including a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
functional use | 430 | 10 |
ORGANOPHOSPHOROUS COMPOUNDS | complete | 09/13/18 | This compound group is defined by the SMILES string 'POC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3174 | 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 | 1165 | 2 |
ARSENIC, INORGANIC OXIDES | complete | 08/09/18 | This compound group has not yet been assigned a structural definition. | other | 8 | 47 |
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 |
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 | 5 |
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 | 391 | 4 |
Barium Salts | complete | 08/03/18 | This compound group is defined by the SMILES string '[BaD0]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
573 | 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 | 275 | 3 |
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 |
Ioxynil salts | complete | 07/30/18 | This compound group has not yet been assigned a structural definition. |
other | 11 | 0 |
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 |
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 | 17 |
Diphenyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn](C2=[CH][CH]=[CH][CH]=[CH]2)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 153 | 19 |
Monomethyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[Sn][CH3]' subtracting compounds with 2+ methyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 95 | 17 |
Monophenyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn]', then subtracting compounds matching diphenyltin. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 70 | 19 |
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 | 978 | 22 |
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 | 22 |
Asbestos Fibers | complete | 06/04/18 | This compound group has not yet been assigned a structural definition. |
other | 12 | 12 |
Aflatoxins | complete | 03/08/18 | Group members were obtained from IARC VOL.: 82 (2002) (p. 171) |
6 | 4 |