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CAS Number: 20725-32-0
5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid

Structure

 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Name: 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 20725320

CAS Registry Number 20725-32-0
Name:
1H-?1,?2,?3-?Triazole-?4-?carboxylic acid, 5-?methyl-?1-?phenyl-
5-Methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
NSC 133540

 

Chemical Formula: C10H9N3O2
Exact Mass: 203.07
Molecular Weight: 203.20
m/z: 203.07 (100.0%), 204.07 (12.0%)

 

InChI:InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)

InChI Key:RRHCZOBPABYIJZ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(N=NN1C2=CC=CC=C2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 147-148 °C   (2)CAS
Melting Point 137-138 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 137-138 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%
References
  1. (2) Pokhodylo, N. T.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2009, V45(12), P1469-1472 CAPLUS
  2. (3) Obushak, N. D.; Russian Journal of Organic Chemistry 2008, V44(10), P1522-1527 CAPLUS
  3. (4) Pokhodylo, N. T.; Russian Journal of Organic Chemistry 2010, V46(3), P417-421 CAPLUS
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