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CAS Number: 89193-16-8
ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

Structure

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Name: ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 89193168
CAS Registry Number: 89193-16-8
Name:
1H-​Pyrazole-​4-​carboxylic acid, 5-​methyl-​1-​phenyl-​, ethyl ester
Pyrazole-​4-​carboxylic acid, 5-​methyl-​1-​phenyl-​, ethyl ester (7CI); 5-​Methyl-​1-​phenyl-​1H-​pyrazole-​4-​carboxylic acid ethyl ester; 5-​Methyl-​1-​phenylpyrazole-​4-​carboxylic acid ethyl ester; Ethyl 5-​methyl-​1-​phenylpyrazole-​4-​carboxylate; NSC 85879 
 
Chemical Formula: C13H14N2O2
Exact Mass: 230.11
Molecular Weight: 230.26
m/z: 230.11 (100.0%), 231.11 (14.3%), 232.11 (1.4%)
Elemental Analysis: C, 67.81; H, 6.13; N, 12.17; O, 13.90
 
InChI: InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey: XYIOIOHRWLZCDM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C
 
Thermal Properties Value Condition Note
Boiling Point See full text   (1)IC
Melting Point 55-56 °C   (7)CAS
Melting Point 55-56 °C   (6)IC
Melting Point 49-52 °C   (4)CAS
Melting Point 49 °C Solv: ligroine (8032-32-4) (1)IC

Specification

98%

References
  1. (1) Menozzi, Giulia; Journal of Heterocyclic Chemistry 1987, V24(6), P1669-75 CAPLUS
  2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Alinezhad, Heshmatollah; Journal of Fluorine Chemistry 2011, V132(11), P995-1000 CAPLUS
  5. (5) 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.
  6. (6) Bajnati, Abdelilah; Bulletin de la Societe Chimique de France 1987, (2), P318-24 CAPLUS
  7. (7) Dains, F. B.; Washington Coll. J. Am. Chem. Soc. 1910, V31, P1148-57 CAPLUS
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