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CAS Number: 56079-16-4
ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate

Structure

 ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate
Name: ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 56079164
CAS Registry Number: 56079-16-4
Name:
1H-​Pyrazole-​4-​carboxylic acid, 1,​3,​5-​trimethyl-​, ethyl ester
1,​3,​5-​Trimethyl-​4-​ethoxycarbonylpyrazo​le; 4-​Carbethoxy-​1,​3,​5-​trimethylpyrazole 
 
Chemical Formula: C9H14N2O2
Exact Mass: 182.11
Molecular Weight: 182.22
m/z: 182.11 (100.0%), 183.11 (10.0%)
Elemental Analysis: C, 59.32; H, 7.74; N, 15.37; O, 17.56
 
InChI: InChI=1S/C9H14N2O2/c1-5-13-9(12)8-6(2)10-11(4)7(8)3/h5H2,1-4H3
InChIKey: FNZSSAPYUITUIX-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1C)C)C
 
Thermal Properties Value Condition Note
Boiling Point 53-55 °C Press: 0.5 Torr (1)IC
Melting Point 37 °C   (4)CAS
Melting Point 35-37 °C   (3)IC
 

Specification

98%
References
  1. (1) Alberola, A.; Anales de Quimica, Serie C: Quimica Organica y Bioquimica 1987, V83(1), P55-61 CAPLUS
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Coqueret, X.; Tetrahedron 1986, V42(8), P2263-73 CAPLUS
  4. (4) Rojahn, C. A.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1926, V264, P337-47 CAPLUS
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