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Benzoyl chloride,4-(bromomethyl)-3-(trifluoromethyl)- (948553-14-8)

Identification
Name:Benzoyl chloride,4-(bromomethyl)-3-(trifluoromethyl)-
Synonyms:4-Bromomethyl-3-trifluoromethylbenzoyl chloride;
CAS:948553-14-8
Molecular Formula: C9H5BrClF3O
Molecular Weight: 301.49
InChI: InChI=1/C9H5BrClF3O/c10-4-6-2-1-5(8(11)15)3-7(6)9(12,13)14/h1-3H,4H2
Molecular Structure: (C9H5BrClF3O) 4-Bromomethyl-3-trifluoromethylbenzoyl chloride;
Properties
Density:1.685 g/cm3
Refractive index:1.517
Specification:

The CAS register number of 4-Bromomethyl-3-trifluoromethylbenzoyl chloride is 948553-14-8. It also can be called as Benzoyl chloride,4-(bromomethyl)-3-(trifluoromethyl)- and the systematic name about this chemical is 4-(bromomethyl)-3-(trifluoromethyl)benzoyl chloride.

Physical properties about 4-Bromomethyl-3-trifluoromethylbenzoyl chloride are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3.97; (3)ACD/LogD (pH 7.4): 3.97; (4)#H bond acceptors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 54.12 cm3; (9)Molar Volume: 178.8 cm3; (10)Polarizability: 21.45x10-24cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Enthalpy of Vaporization: 52.05 kJ/mol; (13)Boiling Point: 281.7 °C at 760 mmHg; (14)Vapour Pressure: 0.00352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1C(F)(F)F)C(Cl)=O
(2)InChI: InChI=1/C9H5BrClF3O/c10-4-6-2-1-5(8(11)15)3-7(6)9(12,13)14/h1-3H,4H2
(3)InChIKey: KDBGNVBIKFJPKS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H5BrClF3O/c10-4-6-2-1-5(8(11)15)3-7(6)9(12,13)14/h1-3H,4H2
(5)Std. InChIKey: KDBGNVBIKFJPKS-UHFFFAOYSA-N

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