Consensus flow list

3-chloro-p-toluidine

fo-9ef947b39012786f

Identity

Type
NeutralMolecule
CAS
95-74-9
EC
202-446-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 3-chloro-p-toluidine

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RQKFYFNZSHWXAW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
IUPAC name chemrof:IUPAC_name 3-chloro-p-toluidine
Molecular formula chemrof:molecular_formula C7H8ClN
Molecular mass chemrof:molecular_mass 141.601
Monoisotopic mass chemrof:monoisotopic_mass 141.034527, 141.03453
SMILES string chemrof:smiles_string Cc1ccc(N)cc1Cl

Known URLs

13

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
beilstein beilstein:636511 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-74-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37824 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.225 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020286 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=96620 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1374337 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32Y306W7BQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.569F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55694 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7255 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2239 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q7602061 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eb394989-be35-4059-bc38-7c8b2ddb8c50 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c45c53b1-1b88-4559-af4a-86a213865bfe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
857b96eb-1f22-44e3-b646-9fbaeadd3e2e Environmental → Air → Indoor EF 3.1 kg 4
5ebc5c30-72bd-418c-aac6-28153496df39 Environmental → Air → Long-term EF 3.1 kg 0
6c671734-5296-4dd0-8e11-9f2805da05dc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b088fb60-50bc-407e-92b8-7b44b43296db Environmental → Air → Unknown EF 3.1 kg 4
c3c8edcc-ed24-41a0-b558-73a7e52ba430 Environmental → Ground → Agricultural EF 3.1 kg 4
56fb4708-2539-4b38-9dcf-13080c77a04d Environmental → Ground → Non-agricultural EF 3.1 kg 4
95be51d6-72d3-4ab8-8dda-758c36deeb0e Environmental → Ground → Unknown EF 3.1 kg 4
03d996bf-0048-4379-ae77-a1ab831699a6 Environmental → Water → Long-term EF 3.1 kg 0
9f68cc54-14c7-4a77-8bbb-65c0657859ad Environmental → Water → Ocean EF 3.1 kg 4
2f3e910a-527e-4e60-a387-58292c92d66d Environmental → Water → Surface water EF 3.1 kg 4
b11cbfae-bfa9-487d-be34-bada135d01ec Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "A monochloroaniline that is p-toluidine in which one of the hydrogens that is meta to the amino group is replaced by a chlorine.",
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  ]
}

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