CAS No.27428-57-5,4-BROMO-4'-CHLOROBENZOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27428-57-5
Name:	4-BROMO-4'-CHLOROBENZOPHENONE
Article Data:	19

Formula:	C₁₃H₈BrClO
Molecular Weight:	295.563
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)-;
Density:	1.51 g/cm³
Melting Point:	148.0 to 152.0 °C
Boiling Point:	382.7 °C at 760 mmHg
Flash Point:	185.2 °C
PSA:	17.07000
LogP:	4.33350

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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