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CAS Number: 91138-00-0
5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

Structure

5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
Name: 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 91138000
CAS Registry Number: 91138-00-0
Name:
        1H-​Pyrazole-​4-​carboxylic acid, 5-​methyl-​1-​phenyl-
        Pyrazole-​4-​carboxylic acid, 5-​methyl-​1-​phenyl- (6CI,​7CI); 5-​Methyl-​1-​phenyl-​1H-​pyrazole-​4-​carboxylic acid; 5-​Methyl-​1-​phenylpyrazole-​4-​carboxylic acid 
 
Chemical Formula: C11H10N2O2
Exact Mass: 202.07
Molecular Weight: 202.21
m/z: 202.07 (100.0%), 203.08 (12.1%), 204.08 (1.1%)
Elemental Analysis: C, 65.34; H, 4.98; N, 13.85; O, 15.82
 
InChI: InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey: USSMIQWDLWJQDQ-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=NN1C2=CC=CC=C2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 169 °C Solv: ethyl ether (60-29-7) (2)IC
Melting Point 168-169 °C   (3)CAS
Melting Point 166-168 °C   (4)CAS
Melting Point 163-164 °C   (5)CAS

Specification

98%

References

  • (1) Yin, Zheng; Synthetic Communications 2005, V35(23), P2945-2950 CAPLUS
  • (2) Menozzi, Giulia; Journal of Heterocyclic Chemistry 1987, V24(6), P1669-75 CAPLUS
  • (3) Vasil'eva, V. F.; Zhurnal Obshchei Khimii 1963, V33(11), P3706-11 CAPLUS
  • (4) Vasil'eva, V. F.; Zhurnal Obshchei Khimii 1962, V32, P1446-51 CAPLUS
  • (5) Volodina, M. A.; Zhurnal Obshchei Khimii 1964, V34(2), P469-73 CAPLUS
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