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CAS Number: 25016-20-0
1-methyl-1H-pyrazole-3-carboxylic acid

Structure

 1-methyl-1H-pyrazole-3-carboxylic acid
Name: 1-methyl-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 25016200

CAS Registry Number 25016-20-0
Name:
1H-?Pyrazole-?3-?carboxylic acid, 1-?methyl-
Pyrazole-3-carboxylic acid, 1-methyl- (8CI)
1-Methyl-1H-pyrazole-3-carboxylic acid
1-Methylpyrazole-3-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/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9)

InChI Key:YBFIKNNFQIBIQZ-UHFFFAOYSA-N

Canonical SMILES:CN1C=CC(=N1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 200-201 °C   (3)CAS
Melting Point 155-155.5 °C   (4)CAS
Melting Point 155-155.5 °C   (5)IC
Melting Point 154-156 °C Solv: isopropanol (67-63-0) (6)IC

Specification

98%
References
  1. (3) Saakyan, A. A.; Russian Journal of General Chemistry 2011, V81(8), P1745-1746 CAPLUS
  2. (4) Shvartsberg, M. S.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1969, (11), P2546-50 CAPLUS
  3. (5) Vasilevskii, S. F.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1980, (5), P1071-7 CAPLUS
  4. (6) Manaev, Yu. A.; Zhurnal Obshchei Khimii 1982, V52(11), P2592-8 CAPLUS
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