5-butyl-1H-benzotriazole Chemical Properties

Melting point:

75℃ (ligroine )

Boiling point:

202 °C(Press: 11 Torr)

Density 

1.136±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

8.58±0.40(Predicted)

InChI

InChI=1S/C10H13N3/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9/h5-7H,2-4H2,1H3,(H,11,12,13)

InChIKey

ZCFMGIGLXOKMJC-UHFFFAOYSA-N

SMILES

N1C2=CC(CCCC)=CC=C2N=N1

EPA Substance Registry System

5-Butyl-1H-benzotriazole (3663-24-9)

Safety Information

HS Code 

2933998090

5-butyl-1H-benzotriazole Usage And Synthesis

Uses

As a derivative of benzotriazole, 5-butyl-1H-benzotriazole can participate in a variety of chemical reactions to synthesize novel compounds with specific functions. In scientific research and industry, it is often used to prepare fine chemicals such as dyes, bactericides, and antifungal agents, and is a basic structural unit for constructing complex organic molecular structures.

Synthesis

Starting with 4-n-butylaniline, 4-n-butylacetaniline was first prepared by reacting it with acetic anhydride and concentrated sulfuric acid. Subsequently, 4-n-butylacetaniline underwent a series of reactions including nitration, hydrolysis, and diazotization, ultimately yielding 5-butyl-1H-benzotriazole via a cyclization reaction.