3-nitrobenzonitrile

1-Cyano-3-nitrobenzene
3-Cyano-1-nitrobenzene
3-Cyanonitrobenzene
Benzonitrile, 3-nitro-
Benzonitrile, m-nitro-
m-Cyanonitrobenzene
m-Nitrobenzonitrile

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RUSAWEHOGCWOPG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
IUPAC name chemrof:IUPAC_name	3-nitrobenzonitrile
Molecular formula chemrof:molecular_formula	C7H4N2O2
Molecular mass chemrof:molecular_mass	148.121
Monoisotopic mass chemrof:monoisotopic_mass	148.027277
SMILES string chemrof:smiles_string	N#Cc1cccc([N+](=O)[O-])c1

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=619-24-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.626	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5060697	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5382	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57012	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JDN9Z8WU2R	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.471E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12079	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q63399425	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ef76bc70-41e3-4a39-ab86-d56cc73b864f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2e452539-87d9-4bd4-b0e1-51ee896030da	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
cd66679c-d405-49ec-89b5-39f0076a5810	Environmental → Air → Indoor	EF 3.1	kg	2
e456c561-5838-4789-95f5-868414fc113b	Environmental → Air → Long-term	EF 3.1	kg	0
68e9c851-89fa-40fc-89d3-4e536fe5ee97	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
eb5898de-6293-4649-b853-3e588308d012	Environmental → Air → Unknown	EF 3.1	kg	2
4d8714d7-4c56-4b17-8d3f-d1e0c2f36f2d	Environmental → Ground → Agricultural	EF 3.1	kg	2
bed85f1d-c9c6-4422-b47f-7728d660c0e3	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
bddc0f7d-0c17-4169-a565-1c3d38ca2210	Environmental → Ground → Unknown	EF 3.1	kg	2
4f564949-b272-4729-a4f3-7b871412027d	Environmental → Water → Long-term	EF 3.1	kg	0
fe277196-1283-4c6f-bae6-0f0a713701b4	Environmental → Water → Ocean	EF 3.1	kg	2
b1fe9ba8-92a1-4108-92f4-21ea3c145aaa	Environmental → Water → Surface water	EF 3.1	kg	2
ba2c1857-d76a-4555-ae00-e8549ba352ca	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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3-nitrobenzonitrile

Identity

Structure

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Elementary flows

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