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CAS Number: 59443-15-1
1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone

Structure

1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone
Name: 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone
Synonyms:
General Information
Product Number: 59443151
CAS Registry Number: 59443-15-1
Name:
        Ethanone, 1-​(3-​bromo-​5-​chloro-​2-​hydroxyphenyl)​-
        1-​(3-​Bromo-​5-​chloro-​2-​hydroxyphenyl)​ethanone; 3-​Bromo-​5-​chloro-​2-​hydroxyacetophenone 
 
Chemical Formula: C8H6BrClO2
Exact Mass: 247.92
Molecular Weight: 249.49
m/z: 249.92 (100.0%), 247.92 (77.4%), 251.92 (24.1%), 248.93 (6.8%), 250.93 (6.7%), 250.92 (2.1%), 252.92 (2.1%)
Elemental Analysis: C, 38.51; H, 2.42; Br, 32.03; Cl, 14.21; O, 12.83
 
InChI: InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3
InChIKey: FFAVKFQPEOGJOA-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC(=CC(=C1O)Br)Cl
 
Thermal Properties Value Condition Note
Melting Point 112 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 100 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 79 °C   (3)CAS

Specification

98%

References
  1. (1) Pui, Aurel; Polyhedron 2007, V26(13), P3143-3152 CAPLUS
  2. (2) Shastri, R. A.; Indian Journal of Heterocyclic Chemistry 2009, V19(1), P73-76 CAPLUS
  3. (3) Khansole, Sandeep V.; Chinese Chemical Letters 2009, V20(3), P256-260 CAPLUS
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