4-Methyl-1H-benzotriazole

Synonyms: 4-methyl-1H-benzo[d][1,2,3]triazole, "tolytriazole", "4-methyl-1H-benzotriazole", "4-methyl-1H-1,2,3-benzotriazole", "4-methylbenzotriazole", "4-methyl-2H-benzotriazole".

Source: Tolytriazole is a blend constituent chemical in dianodic that function to provide protection for material unit made of copper alloy forming a protective film on the surface to inhibit corrosion. In addition, it is a component of aircraft deicing/anti-icing fluids.

Identifiers:

IUPAC Name: 4-methyl-2H-benzotriazole
CAS Number: 29878-31-7
PubChem ID: 122499
InChiKey: CMGDVUCDZOBDNL-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=CC2=NNN=C12

Structural Properties:

Molecular Formula: C₇H₇N₃
Molecular Weight: 133.15

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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2D-structure

3D-structure