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CAS Number: 3177-20-6
methyl 2,4-dichloropyrimidine-5-carboxylate

Structure

methyl 2,4-dichloropyrimidine-5-carboxylate
Name: methyl 2,4-dichloropyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 3177206
CAS Registry Number: 3177-20-6
Name:
5-​Pyrimidinecarboxylic acid, 2,​4-​dichloro-​, methyl ester
2,​4-​Dichloropyrimidine-​5-​carboxylic acid methyl ester; Methyl 2,​4-​dichloro-​5-​pyrimidinecarboxylat​e 
 
Chemical Formula: C6H4Cl2N2O2
Exact Mass: 205.96
Molecular Weight: 207.01
m/z: 205.96 (100.0%), 207.96 (63.9%), 209.96 (10.2%), 206.97 (6.6%), 208.97 (4.3%)
Elemental Analysis: C, 34.81; H, 1.95; Cl, 34.25; N, 13.53; O, 15.46
 
InChI: InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3
InChIKey: FNNAWVXVOHNOFF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(N=C1Cl)Cl
 
Thermal Properties Value Condition Note
Boiling Point 141-143 °C Press: 23-25 Torr (1)CAS
Boiling Point 130-135 °C Press: 16 Torr (2)CAS
Melting Point 34-34.5 °C   (1)CAS

Specification

98%

References
  1. (1) Smith, Victor H.; Journal of Organic Chemistry 1955, V20, P829-38 CAPLUS
  2. (2) Ballard, Elizabeth; Journal of the American Chemical Society 1942, V64, P794-8 CAPLUS
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