6-nitrobenzimidazole

1H-Benzimidazole, 5-nitro-
1H-Benzimidazole, 6-nitro-
5(6)-Nitrobenzimidazole
5-Nitro-1H-benzimidazole
5-Nitrobenzimidazole
6-Nitro-1H-benzimidazole
6-Nitro-1H-benzo[d]imidazole
Benzimidazole, 5(or 6)-nitro-
Benzimidazole, 5-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XPAZGLFMMUODDK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
IUPAC name chemrof:IUPAC_name	6-nitrobenzimidazole
Molecular formula chemrof:molecular_formula	C7H5N3O2
Molecular mass chemrof:molecular_mass	163.136
Monoisotopic mass chemrof:monoisotopic_mass	163.038176
SMILES string chemrof:smiles_string	O=[N+]([O-])c1ccc2[nH]cnc2c1

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=94-52-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.129	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8020965	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3068	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=58858	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164921	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A7V95AYT2T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.954H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7195	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27273738	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e2fb52f1-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9436-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
8ab25f40-6af4-4aac-94d6-536c0eaf51ad	Environmental → Air → Indoor	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9435-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-9437-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9434-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9432-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	4
4d9a8790-3ddd-11dd-943b-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9433-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9439-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-943c-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	4
4d9a8790-3ddd-11dd-9438-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	4
4d9a8790-3ddd-11dd-943a-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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6-nitrobenzimidazole

Identity

Structure

Alternative labels

Properties

Known URLs

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