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CAS Number: 51105-90-9
methyl 1H-pyrazole-4-carboxylate

Structure

methyl 1H-pyrazole-4-carboxylate
Name: methyl 1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 51105909

CAS Registry Number 51105-90-9
Name:
1H-​Pyrazole-​4-​carboxylic acid, methyl ester
Methyl 1H-pyrazole-4-carboxylate
Methyl pyrazole-4-carboxylate

 

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/c1-9-5(8)4-2-6-7-3-4/h2-3H,1H3,(H,6,7)

InChI Key:VFTZKSMAJVLWOV-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CNN=C1

 

Thermal Properties Value Condition Note
Melting Point 145-146 °C Solv: benzene (71-43-2) (2)IC
Melting Point 136-137 °C   (3)CAS
Melting Point 134-135 °C   (4)IC
Melting Point 128-130 °C Solv: toluene (108-88-3) (1)CAS

Specification

98%

References
  1. (1) Anderson, Erin D.; Journal of the American Chemical Society 2011, V133(31), P12285-12292 CAPLUS
  2. (2) Hirota, Kosaku; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1983, (6), P1293-7 CAPLUS
  3. (3) Jones, Reuben G.; Journal of the American Chemical Society 1949, V71, P3994-4000 CAPLUS
  4. (4) Tamura, Yasumitsu; Chemical & Pharmaceutical Bulletin 1976, V24(10), P2568-71 CAPLUS
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