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CAS Number: 1458-03-3
methyl 3-amino-6-chloropyrazine-2-carboxylate

Structure

methyl 3-amino-6-chloropyrazine-2-carboxylate
Name: methyl 3-amino-6-chloropyrazine-2-carboxylate
Synonyms:
General Information
Product Number: 1458033
CAS Registry Number: 1458-03-3
Name:
2-​Pyrazinecarboxylic acid, 3-​amino-​6-​chloro-​, methyl ester
Pyrazinecarboxylic acid, 3-​amino-​6-​chloro-​, methyl ester (7CI,​8CI,​9CI); 2-​Amino-​3-​(methoxycarbonyl)​-​5-​chloropyrazine; 3-​Amino-​6-​chloro-​2-​pyrazinecarboxylic acid methyl ester; 3-​Amino-​6-​chloropyrazinecarbox​ylic acid methyl ester; Methyl 2-​amino-​5-​chloropyrazine-​3-​carboxylate; Methyl 3-​amino-​6-​chloropyrazine-​2-​carboxylate; Methyl 3-​amino-​6-​chloropyrazinecarbox​ylate 
 
Chemical Formula: C6H6ClN3O2
Exact Mass: 187.01
Molecular Weight: 187.58
m/z: 187.01 (100.0%), 189.01 (32.0%), 188.02 (6.6%), 190.02 (2.2%), 188.01 (1.1%)
Elemental Analysis: C, 38.42; H, 3.22; Cl, 18.90; N, 22.40; O, 17.06
 
InChI: InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKey: JGAJCAJHSHUPGH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=CN=C1N)Cl
 
Thermal Properties Value Condition Note
Melting Point 159-161 °C   (1)CAS
Melting Point 159-161 °C   (2)CAS
Melting Point 142 °C (decomp)   (3)CAS

Specification

98%

References
  1. (1) Cragoe, Edward J., Jr.; BE 639393 1964 CAPLUS
  2. (2) Cragoe, Edward J., Jr.; GB 1085846 1967 CAPLUS
  3. (3) Cragoe, Edward J., Jr.; BE 639386 1964 CAPLUS
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