Benzonitrile

Benzene, cyano-
Benzenecarbonitrile
benzenenitrile
benzoic acid nitrile
Benzonitril
C6H5-CN
Cyanobenzene
Phenyl cyanide

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	JFDZBHWFFUWGJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
IUPAC name chemrof:IUPAC_name	Benzonitrile
Molecular formula chemrof:molecular_formula	C7H5N
Molecular mass chemrof:molecular_mass	103.124
Monoisotopic mass chemrof:monoisotopic_mass	103.042199, 103.0422
SMILES string chemrof:smiles_string	N#Cc1ccccc1

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:506893	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=100-47-0	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=26809-03-0	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27991	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.596	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1103	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7021491	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8039	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15819	enrich_references.pubchem_identifier_url
gmelin	gmelin:2653	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9V9APP5H5S	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2926.90.08.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.590D	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C09814	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C09814	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51548	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-15582	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7505	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2224	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=045566	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/24129580	enrich_references.chebi_xrefs
umbbd.compound	umbbd.compound:c0367	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q412567	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Benzonitrile	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
e7f0d1d8-fc65-4433-8eed-555abf7da322	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d1ba7b26-a464-48ae-b0be-1e316c7482bc	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
14d4e8b0-2fc8-4c33-8cda-6b0c34822547	Environmental → Air → Indoor	EF 3.1	kg	2
09fe7c3e-df22-4c2d-8357-6590dfbac74a	Environmental → Air → Long-term	EF 3.1	kg	0
1da1a97c-8d00-4778-905a-6459f6efda21	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
adf023c7-63ce-42f1-a34b-a8edb768d562	Environmental → Air → Unknown	EF 3.1	kg	2
ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a	Environmental → Ground → Agricultural	EF 3.1	kg	2
243c7e7d-8028-472e-b0e8-1c8b1d75c7c6	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ed854db9-9a9f-4105-b0a9-c6141b01fbc4	Environmental → Ground → Unknown	EF 3.1	kg	2
627914df-4ab0-4769-a697-3b0cf0ad74bc	Environmental → Water → Long-term	EF 3.1	kg	0
06a2038e-ac0a-490b-8777-587c0a72809e	Environmental → Water → Ocean	EF 3.1	kg	2
78570ceb-c50c-4459-bd60-349c20c24407	Environmental → Water → Surface water	EF 3.1	kg	2
db71e8c7-c3a8-4ba9-a68a-00de6cbbfd6e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Benzonitrile

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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