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CAS Number: 40929-50-8
ethyl pyrimidine-5-carboxylate

Structure

ethyl pyrimidine-5-carboxylate
Name: ethyl pyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 40929508
CAS Registry Number: 40929-50-8
Name:
5-​Pyrimidinecarboxylic acid, ethyl ester
Ethyl 5-​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)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKey: YCWDQAKDVQNVAR-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=CN=C1
 
Thermal Properties Value Condition Note
Boiling Point 108 °C Press: 14 Torr (1)CAS
Boiling Point 102.5-103.5 °C Press: 12 Torr (2)CAS
Melting Point 38-39 °C   (1)CAS
Melting Point 16 °C   (2)CAS

Specification

98%

References
  1. (1) von Angerer, S.; Science of Synthesis 2004, V16, P379-572 CAPLUS
  2. (2) Godefroi, Erik F.; Journal of Organic Chemistry 1962, V27, P2264-6 CAPLUS
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