[4-(4-Bromophenyl)phenyl]-phenyl-methanone supplier

Name
4-BENZOYL-4'-BROMOBIPHENYL
EINECS
CAS No. 63242-14-8
Article Data6
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point 157-161 °C(lit.)
Formula C₁₉H₁₃BrO
Boiling Point 459.6 °C at 760 mmHg
Molecular Weight 337.216
Flash Point 64.1 °C
Transport Information
Appearance Powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Benzoyl-4'-bromobiphenyl;4-(4-Bromophenyl)benzophenone;Labotest-BB LT01143414;
PSA 17.07000
LogP 5.34710

[4-(4-Bromophenyl)phenyl]-phenyl-methanone Specification

The CAS register number of [4-(4-Bromophenyl)phenyl]-phenyl-methanone is 63242-14-8. It also can be called as 4-Benzoyl-4'-bromobiphenyl and the systematic name about this chemical is (4'-bromobiphenyl-4-yl)(phenyl)methanone. The molecular formula about this chemical is C₁₉H₁₃BrO and the molecular weight is 337.21. It belongs to the following product categories which include Biphenyl & Diphenyl ether; Bromine Compounds; C₁₅ to C₃₈; Carbonyl Compounds; Ketones and so on.

Physical properties about [4-(4-Bromophenyl)phenyl]-phenyl-methanone are: (1)ACD/LogP: 6.27; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 17.07 Å²; (6)Index of Refraction: 1.627; (7)Molar Refractivity: 88.32 cm³; (8)Molar Volume: 249 cm³; (9)Polarizability: 35.01x10^-24cm³; (10)Surface Tension: 46.6 dyne/cm; (11)Density: 1.354 g/cm³; (12)Flash Point: 64.1 °C; (13)Enthalpy of Vaporization: 72.01 kJ/mol; (14)Boiling Point: 459.6 °C at 760 mmHg; (15)Vapour Pressure: 1.25E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzoyl chloride and 4-bromo-biphenyl. This reaction will need reagent of AlCl₃.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc(c2ccc(C(=O)c1ccccc1)cc2)cc3
(2)InChI: InChI=1/C19H13BrO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H
(3)InChIKey: ITMLYLPKSFZCJK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C19H13BrO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H
(5)Std. InChIKey: ITMLYLPKSFZCJK-UHFFFAOYSA-N

Product Name

4-BENZOYL-4'-BROMOBIPHENYL

[4-(4-Bromophenyl)phenyl]-phenyl-methanone Specification

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