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CAS Number: 100707-39-9
5-bromo-2-methylpyrimidine-4-carboxylic acid

Structure

5-bromo-2-methylpyrimidine-4-carboxylic acid
Name: 5-bromo-2-methylpyrimidine-4-carboxylic acid
Synonyms:
General Information
Product Number: 100707399

CAS Registry Number 100707-39-9
Name:
4-​Pyrimidinecarboxylic acid, 5-​bromo-​2-​methyl-
2-Methyl-5-bromopyrimidine-4-carboxylic acid
5-Bromo-2-methylpyrimidine-4-carboxylic acid
NSC 82651

 

Chemical Formula: C6H5BrN2O2
Exact Mass: 215.95
Molecular Weight: 217.02
m/z: 215.95 (100.0%), 217.95 (97.3%), 218.95 (7.0%), 216.96 (6.6%)

 

InChI:InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)

InChI Key:MDERWSRHRJUWNS-UHFFFAOYSA-N

Canonical SMILES:CC1=NC=C(C(=N1)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 172-173 °C (decomp) Solv: methanol (67-56-1) (1)CAS
Melting Point 170-172 °C   (2)CAS

Specification

98%

References
  1. (1) Budesinsky, Z.; Collection of Czechoslovak Chemical Communications 1949, V14, P223-35 CAPLUS
  2. (2) Kosolapoff, Gennady M.; Journal of Organic Chemistry 1961, V26, P1895-8 CAPLUS
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