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CAS Number: 62846-82-6
ethyl pyrimidine-4-carboxylate

Structure

ethyl pyrimidine-4-carboxylate
Name: ethyl pyrimidine-4-carboxylate
Synonyms:
General Information
Product Number: 62846826
CAS Registry Number: 62846-82-6
Name:
4-​Pyrimidinecarboxylic acid, ethyl ester
4-​Ethoxycarbonylpyrimi​dine; Ethyl 4-​pyrimidinecarboxylat​e 
 
Chemical Formula: C7H8N2O2
Exact Mass: 152.06
Molecular Weight: 152.15
m/z: 152.06 (100.0%), 153.06 (8.5%)
Elemental Analysis: C, 55.26; H, 5.30; N, 18.41; O, 21.03
 
InChI: InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h3-5H,2H2,1H3
InChIKey: DWRWSNAREGLUHZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC=NC=C1
 
Thermal Properties Value Condition Note
Boiling Point 155-160 °C Press: 88 Torr (1)CAS
Boiling Point 138-142 °C Press: 37 Torr (2)CAS
Melting Point 147-148 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 37-39 °C   (2)CAS
Melting Point 37-39 °C   (1)CAS

Specification

98%

References
  1. (1) Gortinskaya, T. V.; Zhurnal Obshchei Khimii 1955, V25, P2313-17 CAPLUS
  2. (2) Shirakawa, Kenzo; Yakugaku Zasshi 1953, V73, P598-601 CAPLUS
  3. (3) Vanderhaeghe, H.; Bulletin des Societes Chimiques Belges 1957, V66, P276-91 CAPLUS
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