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CAS Number: 99074-45-0
1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Structure

1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Name: 1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 99074450

CAS Registry Number 99074-45-0
Name:
1H-​1,​2,​3-​Triazole-​4-​carboxylic acid, 1-​(2-​chlorophenyl)​-​5-​methyl-
1H-1,2,3-Triazole-4-carboxylic acid, 1-(o-chlorophenyl)-5-methyl- (6CI)

 

Chemical Formula: C10H8ClN3O2
Exact Mass: 237.03
Molecular Weight: 237.64
m/z: 237.03 (100.0%), 239.03 (32.5%), 238.03 (12.0%), 240.03 (3.5%)

 

InChI:InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5H,1H3,(H,15,16)

InChI Key:LFEXQNUUUHXDEE-UHFFFAOYSA-N

Canonical SMILES:CC1=C(N=NN1C2=CC=CC=C2Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 183-184 °C Solv: ethanol (64-17-5) (2)CAS

Specification

98%

References
  1. (2) Pokhodylo, N. T.; Russian Journal of Organic Chemistry 2010, V46(3), P417-421 CAPLUS
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