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CAS Number: 402-61-9
5-methyl-1H-pyrazole-3-carboxylic acid

Structure

5-methyl-1H-pyrazole-3-carboxylic acid
Name: 5-methyl-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 402619

CAS Registry Number 402-61-9
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​methyl-
Pyrazole-3(or 5)-carboxylic acid, 5(or 3)-methyl- (6CI,7CI)
Pyrazole-3-carboxylic acid, 5-methyl- (8CI)
3-Carboxy-5-methylpyrazole
3-Methyl-1H-pyrazole-5-carboxylic acid
3-Methylpyrazole-5-carboxylic acid

 

Chemical Formula: C5H6N2O2
Exact Mass: 126.04
Molecular Weight: 126.11
m/z: 126.04 (100.0%), 127.05 (5.6%)

 

InChI:InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)

InChI Key:WSMQKESQZFQMFW-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=NN1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 237-238 °C   (4)CAS
Melting Point 236-237 °C Solv: water (7732-18-5) (5)CAS
Melting Point 236-236.5 °C   (6)CAS
Melting Point 236 °C   (7)CAS
Melting Point 236 °C   (8)CAS
Melting Point 56-57 °C   (2)CAS

Specification

98%

References
  1. (2) Hu, Fei-Long; Journal of Coordination Chemistry 2009, V62(22), P3613-3620 CAPLUS
  2. (4) Huttel, Rudolf; Justus Liebigs Annalen der Chemie 1947, V558, P34-47 CAPLUS
  3. (5) Rubessa, R.; Farmaco, Edizione Scientifica 1967, V22(9), P692-7 CAPLUS
  4. (6) Lehninger, Albert L.; Journal of the American Chemical Society 1942, V64, P2507-8 CAPLUS
  5. (7) v. Auwers, K.; Journal fuer Praktische Chemie (Leipzig) 1930, V126, P146-76 CAPLUS
  6. (8) Musante, Carlo; Gazzetta Chimica Italiana 1945, V75, P121-36 CAPLUS
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