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CAS Number: 15366-34-4
methyl 1H-pyrazole-3-carboxylate

Structure

methyl 1H-pyrazole-3-carboxylate
Name: methyl 1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 15366344
CAS Registry Number: 15366-34-4
Name:
1H-​Pyrazole-​3-​carboxylic acid, methyl ester
Pyrazole-​3-​carboxylic acid, methyl ester (6CI,​8CI); Methyl 1H-​pyrazole-​3-​carboxylate; Methyl 3-​pyrazolecarboxylate 
Deleted CAS Registry Numbers: 394658-​31-​2, 839725-​19-​8
 
Chemical Formula: C5H6N2O2
Exact Mass: 126.04
Molecular Weight: 126.11
m/z: 126.04 (100.0%), 127.05 (5.6%)
Elemental Analysis: C, 47.62; H, 4.80; N, 22.21; O, 25.37
 
InChI: InChI=1S/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
InChIKey: ORUCTBNNYKZMSK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=NN1
 
Thermal Properties Value Condition Note
Melting Point 162-164 °C Solv: benzene (71-43-2) (1)CAS
Melting Point 142 °C Solv: methanol (67-56-1) (4)CAS
Melting Point 141 °C   (5)CAS
Melting Point 136-138 °C   (2)IC

Specification

98%

References
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  2. (2) Cecchi, Lucia; Journal of Heterocyclic Chemistry 1983, V20(4), P871-3 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Reimlinger, Hans K.; Chemische Berichte 1960, V93, P1857-69 CAPLUS
  5. (5) Owen, L. N.; Journal of the Chemical Society 1947, P1030-4 CAPLUS
  6. (6) Alkorta, Ibon; Structural Chemistry 2005, V16(5), P507-514 CAPLUS
  7. (7) Bulychev, Yu. N.; Khimiya Geterotsiklicheskikh Soedinenii 1988, (7), P914-19 CAPLUS
  8. (8) Akhrem, A. A.; Khimiya Geterotsiklicheskikh Soedinenii 1976, (9), P1239-42 CAPLUS
  9. (9) Moriyama, Kei; Journal of Medicinal Chemistry 2008, V51(1), P159-166 CAPLUS
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