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CHEBI:75331 - benzotriazole

ChEBI IDCHEBI:75331
ChEBI Namebenzotriazole
Stars
DefinitionThe simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.
Last Modified7 November 2014
Submitternamrata
DownloadsMolfile
FormulaC6H5N3
Net Charge0
Average Mass119.127
Monoisotopic Mass119.04835
SMILESc1ccc2nnnc2c1
InChIInChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKeyQRUDEWIWKLJBPS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent benzotriazole (CHEBI:75331)
IUPAC Name 
1H-benzotriazole
Synonyms  Source
BTAChEBI
benzisotriazoleChemIDplus
1,2,-aminozophenyleneChemIDplus
1,2,3-triaza-1H-indeneChemIDplus
aziminobenzeneChemIDplus
azimidobenzeneChemIDplus
Manual XrefsDatabases
BenzotriazoleWikipedia
0CTPDBeChem
Registry NumbersSources
Reaxys:112133Reaxys
CAS:95-14-7ChemIDplus
CAS:95-14-7NIST Chemistry WebBook
Citations