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Methanone,(4-bromophenyl)(4-chlorophenyl)-

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Name

Methanone,(4-bromophenyl)(4-chlorophenyl)-

EINECS N/A
CAS No. 27428-57-5 Density 1.51 g/cm3
PSA 17.07000 LogP 4.33350
Solubility N/A Melting Point 148.0 to 152.0 °C
Formula C13H8BrClO Boiling Point 382.7 °C at 760 mmHg
Molecular Weight 295.563 Flash Point 185.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27428-57-5 (4-BROMO-4'-CHLOROBENZOPHENONE) Hazard Symbols N/A
Synonyms

Benzophenone,4-bromo-4'-chloro- (8CI);4-Bromo-4'-chlorobenzophenone;4-Chloro-4'-bromobenzophenone;(4-bromophenyl)(4-chlorophenyl)methanone;Methanone, (4-bromophenyl)(4-chlorophenyl)-;

Article Data 19

Methanone,(4-bromophenyl)(4-chlorophenyl)- Specification

The Methanone,(4-bromophenyl)(4-chlorophenyl)-, with the CAS registry number 27428-57-5, has the systematic name of (4-bromophenyl)(4-chlorophenyl)methanone. And the molecular formula of the chemical is C13H8BrClO.

The characteristics of Methanone,(4-bromophenyl)(4-chlorophenyl)- are as followings: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/LogD (pH 7.4): 4.84; (5)ACD/BCF (pH 5.5): 2819.87; (6)ACD/BCF (pH 7.4): 2819.87; (7)ACD/KOC (pH 5.5): 10262.88; (8)ACD/KOC (pH 7.4): 10262.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68.63 cm3; (15)Molar Volume: 195.6 cm3; (16)Polarizability: 27.2×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 63.11 kJ/mol; (21)Boiling Point: 382.7 °C at 760 mmHg; (22)Vapour Pressure: 4.64E-06 mmHg at 25°C.
 
Preparation of Methanone,(4-bromophenyl)(4-chlorophenyl)-: This chemical can be prepared by 4-chloro-benzoyl chloride and bromobenzene. The reaction will need reagent AlCl3. The reaction time is 24 hours with temperature of 156°C, and the yield is about 20%. 

Uses of Methanone,(4-bromophenyl)(4-chlorophenyl)-: It can react with ethane-1,2-diol to produce 2-(4-bromo-phenyl)-2-(4-chloro-phenyl)-[1,3]dioxolane. This reaction will need reagent p-TsOH, and the menstruum benzene. The reaction time is 48 hours with heating, and the yield is about 82%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)c2ccc(Cl)cc2
(2)InChI: InChI=1/C13H8BrClO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
(3)InChIKey: FYMCXGILCMIOKD-UHFFFAOYAD

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