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CHEBI:75331 - benzotriazole

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ChEBI Name benzotriazole
ChEBI ID CHEBI:75331
Definition The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H5N3
Net Charge 0
Average Mass 119.12400
Monoisotopic Mass 119.048
InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey QRUDEWIWKLJBPS-UHFFFAOYSA-N
SMILES c1ccc2[nH]nnc2c1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing benzotriazole (CHEBI:75331) has role environmental contaminant (CHEBI:78298)
benzotriazole (CHEBI:75331) has role xenobiotic (CHEBI:35703)
benzotriazole (CHEBI:75331) is a benzotriazoles (CHEBI:48912)
Incoming 1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent benzotriazole (CHEBI:75331)
IUPAC Name
1H-benzotriazole
Synonyms Sources
1,2,-aminozophenylene ChemIDplus
1,2,3-triaza-1H-indene ChemIDplus
2,3-diazaindole NIST Chemistry WebBook
azimidobenzene ChemIDplus
aziminobenzene ChemIDplus
benzene azimide ChemIDplus
benzisotriazole ChemIDplus
BTA ChEBI
Database Links Databases
0CT PDBeChem
Benzotriazole Wikipedia
View more database links
Registry Numbers Types Sources
112133 Reaxys Registry Number Reaxys
95-14-7 CAS Registry Number NIST Chemistry WebBook
95-14-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23652707 PubMed citation Europe PMC
23923790 PubMed citation Europe PMC
Last Modified
07 November 2014