4-nitrobenzonitrile

1-Cyano-4-nitrobenzene
4-Cyano-1-nitrobenzene
4-Cyanonitrobenzene
4-Nitrobenzenenitrile
Benzonitrile, 4-nitro-
Benzonitrile, p-nitro-
p-Cyanonitrobenzene
p-Nitrobenzonitrile

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NKJIFDNZPGLLSH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
IUPAC name chemrof:IUPAC_name	4-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#Cc1ccc([N+](=O)[O-])cc1

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=619-72-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.647	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7060706	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5383	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4QKT535WUA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.813J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12090	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q63398003	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
7468e0a1-41b1-47d0-b588-7139d8c59cdc	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d3844300-104a-4745-97b3-8f67c8c80a75	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2a7d662e-e3aa-4252-9df1-b54b35995e79	Environmental → Air → Indoor	EF 3.1	kg	2
9aa75a42-f156-4f71-928d-dfbd008f9cb0	Environmental → Air → Long-term	EF 3.1	kg	0
76baea49-1b53-4f1c-9975-e70c362af899	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
8c8405e0-fed0-4d7d-b45e-7fa9bb9ba734	Environmental → Air → Unknown	EF 3.1	kg	2
fb04d85b-53e3-409b-be05-9aceaa3b1746	Environmental → Ground → Agricultural	EF 3.1	kg	2
7da228a4-d71b-4e11-8939-cab7f6f920b1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
40207e13-f39e-4baa-b4f9-67a401c09e04	Environmental → Ground → Unknown	EF 3.1	kg	2
087011a6-4cf3-4a79-a6ca-75a728f8fba2	Environmental → Water → Long-term	EF 3.1	kg	0
a3aa3887-6d60-4738-921a-0b0a12ee2c92	Environmental → Water → Ocean	EF 3.1	kg	2
192d270b-88dd-4fb6-880c-048528bfe457	Environmental → Water → Surface water	EF 3.1	kg	2
3b614762-e679-4d63-b8dd-c49eadce15c0	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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4-nitrobenzonitrile

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