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CAS Number: 33332-25-1
methyl 5-chloropyrazine-2-carboxylate

Structure

 methyl 5-chloropyrazine-2-carboxylate
Name: methyl 5-chloropyrazine-2-carboxylate
Synonyms:
General Information
Product Number: 33332251
CAS Registry Number: 33332-25-1
Name:
        2-​Pyrazinecarboxylic acid, 5-​chloro-​, methyl ester
        Pyrazinecarboxylic acid, 5-​chloro-​, methyl ester (8CI,​9CI); 5-​Chloropyrazine-​2-​carboxylic acid methyl ester; Methyl 2-​chloropyrazin-​5-​ylcarboxylate; Methyl 5-​chloro-​2-​pyrazinecarboxylate 
        Deleted CAS Registry Numbers: 1529801-​96-​4
 
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%)
Elemental Analysis: C, 41.76; H, 2.92; Cl, 20.54; N, 16.23; O, 18.54
 
InChI: InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChIKey: CVVMLRFXZPKILB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(C=N1)Cl
 
Thermal Properties Value Condition Note
Melting Point 93-94 °C Solv: hexane (110-54-3) (2)IC
Melting Point 89-90 °C Solv: ligroine (8032-32-4) (3)IC

Specification

98%
References
  1. (1) Holzer, Wolfgang; Magnetic Resonance in Chemistry 2009, V47(7), P617-624 CAPLUS
  2. (2) Sato, Nobuhiro; Journal of Heterocyclic Chemistry 1982, V19(2), P407-8 CAPLUS
  3. (3) Mano, Mitsuhiko; Chemical & Pharmaceutical Bulletin 1980, V28(10), P3057-63 CAPLUS
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