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CAS Number: 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate

Structure

methyl 3-amino-6-bromopyrazine-2-carboxylate
Name: methyl 3-amino-6-bromopyrazine-2-carboxylate
Synonyms:
General Information
Product Number: 6966014
CAS Registry Number: 6966-01-4
Name:
2-​Pyrazinecarboxylic acid, 3-​amino-​6-​bromo-​, methyl ester
Pyrazinecarboxylic acid, 3-​amino-​6-​bromo-​, methyl ester (9CI); 3-​Amino-​6-​bromo-​2-​pyrazinecarboxylic acid methyl ester; Methyl 3-​amino-​6-​bromopyrazine-​2-​carboxylate; NSC 18700 
 
Chemical Formula: C6H6BrN3O2
Exact Mass: 230.96
Molecular Weight: 232.03
m/z: 230.96 (100.0%), 232.96 (97.4%), 231.97 (6.6%), 233.97 (6.5%), 231.96 (1.1%), 233.96 (1.1%)
Elemental Analysis: C, 31.06; H, 2.61; Br, 34.44; N, 18.11; O, 13.79
 
InChI: InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKey: CNXSIRHOIFRMOB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=CN=C1N)Br
 
Thermal Properties Value Condition Note
Melting Point 175.3-175.9 °C   (5)CAS

Specification

98%

References
  1. (1) Delvare, Christian; ACS Combinatorial Science 2011, V13(5), P449-452 CAPLUS
  2. (2) Charrier, Jean-Damien; WO 2011143425 A2 2011 CAPLUS
  3. (3) Charrier, Jean-Damien; WO 2011143423 A2 2011 CAPLUS
  4. (4) Charrier, Jean-Damien; WO 2011143419 A1 2011 CAPLUS
  5. (5) Ellingson, R. C.; Journal of the American Chemical Society 1949, V71, P2798-800 CAPLUS
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