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CAS Number: 37622-90-5
ethyl 1H-pyrazole-4-carboxylate

Structure

ethyl 1H-pyrazole-4-carboxylate
Name: ethyl 1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 37622905
CAS Registry Number: 37622-90-5
Name:
        1H-​Pyrazole-​4-​carboxylic acid, ethyl ester
        Pyrazole-​4-​carboxylic acid, ethyl ester (7CI); 1H-​Pyrazol-​4-​carboxylic acid ethyl ester; 4-​Ethoxycarbonyl-​1H-​pyrazole; 4-​Ethoxycarbonylpyrazo​le; Ethyl 1H-​pyrazole-​4-​carboxylate; Ethyl 4-​pyrazolecarboxylate 
 
Chemical Formula: C6H8N2O2
Exact Mass: 140.06
Molecular Weight: 140.14
m/z: 140.06 (100.0%), 141.06 (7.4%)
Elemental Analysis: C, 51.42; H, 5.75; N, 19.99; O, 22.83
 
InChI: InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CNN=C1
 
Thermal Properties Value Condition Note
Boiling Point 138-140 °C Press: 3 Torr (1)CAS
Boiling Point 120-130 °C Press: 0.6 Torr (2)CAS
Melting Point 76-78 °C   (2)CAS
Melting Point 69 °C   (3)CAS

Specification

98%

References
  1. (1) Jones, Reuben G.; Journal of the American Chemical Society 1949, V71, P3994-4000 CAPLUS
  2. (2) Jones, Reuben G.; Journal of the American Chemical Society 1953, V75, P4048-52 CAPLUS
  3. (3) Toto, Patrick; Synthetic Communications 2008, V38(5), P674-683 CAPLUS
  4. (4) Holzer, Wolfgang; Journal of Heterocyclic Chemistry 1993, V30(4), P865-72 CAPLUS
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