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> Main
CHEBI:83455 - 5-methyl-1
H
-benzotriazole
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ChEBI Name
5-methyl-1
H
-benzotriazole
ChEBI ID
CHEBI:83455
ChEBI ASCII Name
5-methyl-1H-benzotriazole
Definition
A member of the class of benzotriazoles that is 1
H
-benzotriazole substituted by a methyl group at position 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C7H7N3
Net Charge
0
Average Mass
133.15060
Monoisotopic Mass
133.06400
InChI
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKey
LRUDIIUSNGCQKF-UHFFFAOYSA-N
SMILES
Cc1ccc2[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
5-methyl-1
H
-benzotriazole (
CHEBI:83455
)
has role
environmental contaminant (
CHEBI:78298
)
5-methyl-1
H
-benzotriazole (
CHEBI:83455
)
has role
xenobiotic (
CHEBI:35703
)
5-methyl-1
H
-benzotriazole (
CHEBI:83455
)
is a
benzotriazoles (
CHEBI:48912
)
IUPAC Name
5-methyl-1
H
-benzotriazole
Synonyms
Sources
5-Tolyltriazole
NIST Chemistry WebBook
Tolutriazole
NIST Chemistry WebBook
Registry Numbers
Types
Sources
116658
Reaxys Registry Number
Reaxys
136-85-6
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
24621328
PubMed citation
Europe PMC
24746525
PubMed citation
Europe PMC
Last Modified
07 November 2014
General Comment
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag