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CAS Number: 89793-12-4
ethyl 2-chloropyrimidine-5-carboxylate

Structure

ethyl 2-chloropyrimidine-5-carboxylate
Name: ethyl 2-chloropyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 89793124
CAS Registry Number: 89793-12-4
Name:
5-​Pyrimidinecarboxylic acid, 2-​chloro-​, ethyl ester
2-​Chloro-​5-​(ethoxycarbonyl)​pyrimidine; 2-​Chloropyrimidine-​5-​carboxylic acid ethyl ester; Ethyl 2-​chloro-​5-​pyrimidinecarboxylat​e 
 
Chemical Formula: C7H7ClN2O2
Exact Mass: 186.02
Molecular Weight: 186.60
m/z: 186.02 (100.0%), 188.02 (32.4%), 187.02 (8.4%), 189.02 (2.5%)
Elemental Analysis: C, 45.06; H, 3.78; Cl, 19.00; N, 15.01; O, 17.15
 
InChI: InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKey: IEMKQRSOAOPKRJ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1)Cl
 
Thermal Properties Value Condition Note
Melting Point 61 °C   (1)CAS

Specification

98%

References
  1. (1) Ballard, Elizabeth; Journal of the American Chemical Society 1942, V64, P794-8 CAPLUS
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