Consensus flow list

Identity

Type
Neutral molecule
CAS
83-42-1
EC
201-475-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-chloro-6-nitrotoluene

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XCSNRORTQRKCHB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 2-chloro-6-nitrotoluene
Molecular formula chemrof:molecular_formula C7H6ClNO2
Molecular mass chemrof:molecular_mass 171.583
Monoisotopic mass chemrof:monoisotopic_mass 171.008706, 171.00871
SMILES string chemrof:smiles_string Cc1c(Cl)cccc1[N+](=O)[O-]

Known URLs

14

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=83-42-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142281 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.342 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041263 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49147 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182075 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WEZ013857X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.885B enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-18115 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6740 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11823201 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21522365 enrich_references.chebi_xrefs
reaxys reaxys:1239924 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q19822691 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b3bc4c6c-31e8-47f7-b697-fbebec7f78a1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
66ba005d-6d68-4967-a02d-534e1feabbdc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9724a322-d9f9-41b4-80c1-338d932abc85 Environmental → Air → Indoor EF 3.1 kg 2
ae593357-ff38-4b35-9d7e-13e9ef103c04 Environmental → Air → Long-term EF 3.1 kg 0
622bac78-d299-4909-a10c-7149e453f112 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
eb210016-1854-4e18-8b47-90e398c13e19 Environmental → Air → Unknown EF 3.1 kg 2
287bdd03-e165-4862-b0eb-161d8a19e0fb Environmental → Ground → Agricultural EF 3.1 kg 2
a6cbfc1a-142c-45db-a220-900761118d61 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5c4d1a8e-d66a-42ed-bdf7-16c16f48c2d6 Environmental → Ground → Unknown EF 3.1 kg 2
7f5f25e9-05ce-4b6f-98ae-af239433a433 Environmental → Water → Long-term EF 3.1 kg 0
17e2cb78-6768-4f1b-a1d4-d3feac65073b Environmental → Water → Ocean EF 3.1 kg 2
b5628458-7d00-4b56-ad90-cc6ab04fb663 Environmental → Water → Surface water EF 3.1 kg 2
efaca62e-1c20-4e68-b3bf-5563c5c7525c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
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    {
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}

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