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CAS Number: 51940-64-8
ethyl 2,4-dichloropyrimidine-5-carboxylate

Structure

ethyl 2,4-dichloropyrimidine-5-carboxylate
Name: ethyl 2,4-dichloropyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 51940648
CAS Registry Number: 51940-64-8
Name:
5-​Pyrimidinecarboxylic acid, 2,​4-​dichloro-​, ethyl ester
2,​4-​Dichloro-​5-​carbethoxypyrimidine; 2,​4-​Dichloro-​5-​carboethoxypyrimidin​e; 2,​4-​Dichloro-​5-​ethoxycarbonylpyrimi​dine; 2,​4-​Dichloropyrimidine-​5-​carboxylic acid ethyl ester; 5-​Carbethoxy-​2,​4-​dichloropyrimidine; Ethyl 2,​4-​dichloro-​5-​pyrimidinecarboxylat​e 
 
Chemical Formula: C7H6Cl2N2O2
Exact Mass: 219.98
Molecular Weight: 221.04
m/z: 219.98 (100.0%), 221.98 (64.4%), 223.97 (10.2%), 220.98 (8.4%), 222.98 (4.9%)
Elemental Analysis: C, 38.04; H, 2.74; Cl, 32.08; N, 12.67; O, 14.48
 
InChI: InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3
InChIKey: SRJBDGLSCPDXBL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1Cl)Cl
 
Thermal Properties Value Condition Note
Boiling Point 148-150 °C Press: 19-20 Torr (1)CAS
Melting Point 36-37 °C   (2)CAS
Melting Point 36-37 °C   (1)CAS

Specification

98%

References
  1. (1) Smith, Victor H.; Journal of Organic Chemistry 1955, V20, P829-38 CAPLUS
  2. (2) Sprague, James M.; Journal of the American Chemical Society 1935, V57, P2252-5 CAPLUS
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