1H-Benzotriazole
Synonyms: 1H-Benzotriazole, "Benzotriazole", "1H-Benzo[d][1,2,3]triazole", "1,2,3-BENZOTRIAZOLE", "2H-Benzotriazole", "1H-1,2,3-Benzotriazole", "Azimidobenzene", "Benztriazole", "Aziminobenzene", "Benzisotriazole", "Benzene azimide", "2,3-Diazaindole", "Cobratec #99", "1,2-Aminoazophenylene", "Cobratec 99", "1,2,3-Triazaindene", "1,2,3-Triaza-1H-indene", "1H-Benzotriazol", "1,2,-Aminozophenylene", "NCI-C03521", "NSC-3058", "Benzotriazole (VAN)", "BtaH", "1,2,3-1h-benzotriazole".
Source: 1H-Benzotriazole is an effective corrosion inhibitor for copper and its alloys by preventing undesirable surface reactions.
Identifiers:
IUPAC Name: 2H-benzotriazole
CAS Number: 95-14-7
PubChem ID: 7220
InChiKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=NNN=C2C=C1
Structural Properties:
Molecular Formula: C6H5N3
Molecular Weight: 119.12
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 9
Downloads
2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
Search Similar molecules
Evidence Supporting This Chemical as an Emerging Contaminant
Esteban, S., Moreno-Merino, L., Matellanes, R., Catal?, M., Gorga, M., Petrovic, M., L?pez de Alda, M., Barcel?, D., Silva, A., Dur?n, J.J., L?pez-Mart?nez, J., Valc?rcel, Y. (2016). Presence of endocrine disruptors in fresh water in the northern Antarctic Peninsula region. Environmental Research147, 179?192.
Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.
External Links
2D-structure
3D-structure
