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CAS Number: 14401-60-6
2-bromo-5-methyl-4-nitrophenol

Structure

2-bromo-5-methyl-4-nitrophenol
Name: 2-bromo-5-methyl-4-nitrophenol
Synonyms:
General Information
Product Number: 14401606
CAS Registry Number: 14401-60-6
Name:
Phenol, 2-​bromo-​5-​methyl-​4-​nitro-
m-​Cresol, 6-​bromo-​4-​nitro- (6CI,​8CI); 2-​Bromo-​5-​methyl-​4-​nitrophenol 
 
Chemical Formula: C7H6BrNO3
Exact Mass: 230.95
Molecular Weight: 232.03
m/z: 230.95 (100.0%), 232.95 (97.3%), 231.96 (7.8%), 233.95 (7.7%)
Elemental Analysis: C, 36.23; H, 2.61; Br, 34.44; N, 6.04; O, 20.69
 
InChI: InChI=1S/C7H6BrNO3/c1-4-2-7(10)5(8)3-6(4)9(11)12/h2-3,10H,1H3
InChIKey: BCDDQHXDORNHMC-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(C=C1[N+](=O)[O-])Br)O
 
Thermal Properties Value Condition Note
Melting Point 127 °C   (1)CAS
Melting Point 124 °C Solv: ethanol, 96% (64-17-5) (2)CAS
Melting Point 118-119 °C Solv: benzene (71-43-2) (3)CAS

Specification

98%

References
  1. (1) Gibbs, I. R.; Journal of the Chemical Society, Transactions 1914, V105, P1885-92 CAPLUS
  2. (2) von Walther, R. F.; Journal fuer Praktische Chemie (Leipzig) 1915, V92, P107-32 CAPLUS
  3. (3) Tomita, Masao; Yakugaku Zasshi 1960, V80, P353-7 CAPLUS
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