Consensus flow list

4-chlorobenzonitrile

fo-cc4ee40b90f2928e

Identity

Type
Neutral molecule
CAS
623-03-0
EC
210-765-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-chlorobenzonitrile

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GJNGXPDXRVXSEH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
IUPAC name chemrof:IUPAC_name 4-chlorobenzonitrile
Molecular formula chemrof:molecular_formula C7H4ClN
Molecular mass chemrof:molecular_mass 137.569
Monoisotopic mass chemrof:monoisotopic_mass 137.003227, 137.00323
SMILES string chemrof:smiles_string N#Cc1ccc(Cl)cc1

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=623-03-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194693 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.788 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.11663.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044703 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6111 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188114 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4Z0HGP3A8A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.015H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12163 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018397 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22927331 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Chlorobenzonitrile enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4fb33c60-37d9-47c3-beea-60ecb1e718b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bf3a46d6-b8a9-4b15-b633-5fbf7996086f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c6bf571d-0068-40df-9a09-abb8c3de1340 Environmental → Air → Indoor EF 3.1 kg 2
1f7eecc6-d741-47f9-876d-86db80a8f18d Environmental → Air → Long-term EF 3.1 kg 0
b8da95f3-d5a2-4dc3-bcb1-ae4482c82371 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
11a86fb9-160c-4898-b6bd-a2df01058413 Environmental → Air → Unknown EF 3.1 kg 2
fe6bca7d-1a8c-4e3d-95da-593b134afea7 Environmental → Ground → Agricultural EF 3.1 kg 2
c81abda4-de7f-4837-9cca-ed91b4e4117c Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b0d2e6b-92d7-4ce1-a35d-0b2d5773e611 Environmental → Ground → Unknown EF 3.1 kg 2
d48f1639-9ee5-4c4b-b4d9-4eae99f7075b Environmental → Water → Long-term EF 3.1 kg 0
c2151f96-f201-4ef0-a035-d985276b4ed5 Environmental → Water → Ocean EF 3.1 kg 2
815b77e1-5f4a-40b2-a7d4-d75ced41d301 Environmental → Water → Surface water EF 3.1 kg 2
f146d0a3-5de2-446b-af4c-df7ea47f6ece Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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