Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
[4-(4-Bromophenyl)phenyl]-phenyl-methanone |
EINECS | N/A |
CAS No. | 63242-14-8 | Density | 1.354 g/cm3 |
PSA | 17.07000 | LogP | 5.34710 |
Solubility | N/A | 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 | N/A | Appearance | Powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Benzoyl-4'-bromobiphenyl;4-(4-Bromophenyl)benzophenone;Labotest-BB LT01143414; |
Article Data | 6 |
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