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CAS Number: 89581-58-8
2-chloro-6-methylpyrimidine-4-carboxylic acid

Structure

 2-chloro-6-methylpyrimidine-4-carboxylic acid
Name: 2-chloro-6-methylpyrimidine-4-carboxylic acid
Synonyms:
General Information
Product Number: 89581588

CAS Registry Number 89581-58-8
Name:
4-?Pyrimidinecarboxylic acid, 2-?chloro-?6-?methyl-
2-Chloro-6-methylpyrimidine-4-carboxylic acid

 

Chemical Formula: C6H5ClN2O2
Exact Mass: 172.00
Molecular Weight: 172.57
m/z: 172.00 (100.0%), 174.00 (32.0%), 173.01 (6.6%), 175.00 (2.3%)

 

InChI:InChI=1S/C6H5ClN2O2/c1-3-2-4(5(10)11)9-6(7)8-3/h2H,1H3,(H,10,11)

InChI Key:FBXGLOGQWMGIER-UHFFFAOYSA-N

Canonical SMILES:CC1=NC(=NC(=C1)C(=O)O)Cl

 

Thermal Properties Value Condition Note
Melting Point 182 °C Solv: water (7732-18-5) (1)CAS
Melting Point 53-55 °C   (2)CAS

Specification

98%
References
  1. (1) Budesinsky, Z.; Collection of Czechoslovak Chemical Communications 1961, V26, P2871-85 CAPLUS
  2. (2) Palanki, Moorthy S. S.; Journal of Medicinal Chemistry 2000, V43(21), P3995-4004 CAPLUS
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