5,6-Dimethyl-1H-benzotriazole hydrate

CAS: 4184-79-6

Ref. 3D-FD171736

Product Information

• Name: 5,6-Dimethyl-1H-benzotriazole hydrate
• Synonyms: 1H-Benzotriazole, 5,6-dimethyl-, 5,6-Dimethyl-1,2,3-benzotriazole, 5,6-Dimethyl-1H-benzotriazole, 5,6-Dimethylbenzotriazole, 5,6-Dimethylbenzotriazole monohydrate, 5,6-dimethyl-2H-benzotriazole, Benzotriazole, 5,6-dimethyl-, NSC 62005
• CAS: 4184-79-6

Description

5,6-Dimethyl-1H-benzotriazole hydrate is a heterogeneous catalyst that is used for the treatment of wastewater. It is prepared in situ by adding benzoic acid to 5,6-dimethylbenzotriazole and then reacting them with dry N2O4. The reaction mechanism involves the formation of an imine intermediate followed by the elimination of ammonia and water to give a benzotriazolium salt. The product is obtained as a white solid that can be purified using vacuum filtration or recrystallization. This heterogeneous catalyst has been shown to be effective in the analytical method for determining p-hydroxybenzoic acid in adipose tissue samples, urine samples, and homogeneous catalysts. It also produces nitrogen atoms as reaction products.

• Brand: Biosynth

Chemical properties

• Molecular weight: 147.18 g/mol
• Formula: C₈H₉N₃
• Purity: Min. 95%
• Color/Form: Solid
• InChI: InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
• InChI key: InChIKey=MVPKIPGHRNIOPT-UHFFFAOYSA-N
• SMILES: Cc1cc2n[nH]nc2cc1C