2-chlorobenzonitrile

1-Chloro-2-cyanobenzene
2-Chlorophenyl cyanide
2-Cyanochlorobenzene
Benzonitrile, 2-chloro-
Benzonitrile, o-chloro-
o-Chlorobenzonitrile
o-Chlorocyanobenzene
o-Cyanochlorobenzene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NHWQMJMIYICNBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
IUPAC name chemrof:IUPAC_name	2-chlorobenzonitrile
Molecular formula chemrof:molecular_formula	C7H4ClN
Molecular mass chemrof:molecular_mass	137.569
Monoisotopic mass chemrof:monoisotopic_mass	137.003227
SMILES string chemrof:smiles_string	N#Cc1ccccc1Cl

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=873-32-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.669	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5052593	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8438	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3248211	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C8Z5NE7QXJ	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2926.90.17.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.016F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13391	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72517239	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Chlorobenzonitrile	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
24c982dd-f641-4f3f-b185-e0d8b749186c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
32029cbd-ce38-4be1-aa78-c2ace3a66f03	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d21c31cb-9c49-43a2-a655-7134a4816f96	Environmental → Air → Indoor	EF 3.1	kg	2
81d4a2d5-29aa-42af-b9c6-8fba22c4dfed	Environmental → Air → Long-term	EF 3.1	kg	0
aac834c3-9d74-4d8f-bdef-c3a16a9ef20e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6016c965-3de4-46f3-80c8-49047a6d2cbd	Environmental → Air → Unknown	EF 3.1	kg	2
169f6ff8-6ef1-46fe-a193-22eac0cf13f0	Environmental → Ground → Agricultural	EF 3.1	kg	2
2a0330aa-9166-4d44-a883-bb80e4749274	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
444c031f-1268-436e-b327-ceb4938fae84	Environmental → Ground → Unknown	EF 3.1	kg	2
51f552eb-272d-494d-b7a2-470b77ed8421	Environmental → Water → Long-term	EF 3.1	kg	0
61800c88-299e-4b71-8e2a-82b98035b4af	Environmental → Water → Ocean	EF 3.1	kg	2
908e362a-4371-4234-ac59-0b3f16047ca0	Environmental → Water → Surface water	EF 3.1	kg	2
b7a822a7-a926-4d61-99c8-cd160222bccf	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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2-chlorobenzonitrile

Identity

Structure

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