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CAS Number: 78686-77-8
methyl 5-bromo-6-chloronicotinate

Structure

methyl 5-bromo-6-chloronicotinate
Name: methyl 5-bromo-6-chloronicotinate
Synonyms:
General Information
Product Number: 78686778
CAS Registry Number: 78686-77-8
Name:
        3-​Pyridinecarboxylic acid, 5-​bromo-​6-​chloro-​, methyl ester
        5-​Bromo-​6-​chloronicotinic acid methyl ester; Methyl 5-​bromo-​6-​chloro-​3-​pyridinecarboxylate; Methyl 5-​bromo-​6-​chloronicotinate 
 
Chemical Formula: C7H5BrClNO2
Exact Mass: 248.92
Molecular Weight: 250.48
m/z: 250.92 (100.0%), 248.92 (77.1%), 252.91 (24.0%), 251.92 (7.7%), 249.92 (6.2%), 253.92 (1.9%)
Elemental Analysis: C, 33.57; H, 2.01; Br, 31.90; Cl, 14.15; N, 5.59; O, 12.78
 
InChI: InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChIKey: WINGWVOUOFMOJQ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(N=C1)Cl)Br
 
Thermal Properties Value Condition Note
Melting Point 76-77 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC

Specification

98%

References
  1. (1) Setliff, Frank L.; Journal of Chemical and Engineering Data 1981, V26(3), P332-3 CAPLUS
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