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CAS Number: 81971-39-3
5-bromo-1-methylpyridin-2(1H)-one

Structure

5-bromo-1-methylpyridin-2(1H)-one
Name: 5-bromo-1-methylpyridin-2(1H)-one
Synonyms:
General Information
Product Number: 81971393
CAS Registry Number: 81971-39-3
Name:
        2(1H)​-​Pyridinone, 5-​bromo-​1-​methyl-
        3-​Bromo-​1-​methyl-​6-​oxo-​1,​6-​dihydropyridine; 5-​Bromo-​1-​methyl-​1H-​pyridin-​2-​one; 5-​Bromo-​1-​methyl-​2(1H)​-​pyridinone; 5-​Bromo-​1-​methyl-​2(1H)​-​pyridone 
 
Chemical Formula: C6H6BrNO
Exact Mass: 186.96
Molecular Weight: 188.02
m/z: 186.96 (100.0%), 188.96 (97.3%), 189.96 (6.7%), 187.97 (6.6%)
Elemental Analysis: C, 38.33; H, 3.22; Br, 42.50; N, 7.45; O, 8.51
 
InChI: InChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKey: HHVFVHIUOMMWRN-UHFFFAOYSA-N
Canonical SMILES : CN1C=C(C=CC1=O)Br
 
Thermal Properties Value Condition Note
Boiling Point 126-131 °C Press: 1.6 Torr (1)CAS
Melting Point 62.1-63 °C   (1)CAS
Melting Point 52-53 °C Solv: ligroine (8032-32-4) (2)IC

Specification

98%

References
  1. (1) Bradlow, H. Leon; Journal of Organic Chemistry 1951, V16, P73-83 CAPLUS
  2. (2) Shusherina, N. P.; Khimiya Geterotsiklicheskikh Soedinenii 1982, (12), P1662-4 CAPLUS
  3. (3) Ashton, Wallace T.; WO 2005044195 A2 2005 CAPLUS
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