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3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene (527751-45-7)

Identification
Name:3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene
Synonyms:1-Bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene
CAS:527751-45-7
Molecular Formula: C8H5BrF4O
Molecular Weight: 273.02
InChI: InChI=1/C8H5BrF4O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1-4,7H
Molecular Structure: (C8H5BrF4O) 1-Bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene
Properties
Density:1.6187
Refractive index:1.46067
Specification:

The CAS register number of 3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene is 527751-45-7. It also can be called as 1-Bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene and the systematic name about this chemical is 1-bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene. The molecular formula about this chemical is C8H5BrF4O and the molecular weight is 273.02.

Physical properties about 3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene are: (1)ACD/LogP: 4.29; (2)ACD/LogD (pH 5.5): 4.29; (3)ACD/LogD (pH 7.4): 4.29; (4)ACD/BCF (pH 5.5): 1068.66; (5)ACD/BCF (pH 7.4): 1068.66; (6)ACD/KOC (pH 5.5): 5124.42; (7)ACD/KOC (pH 7.4): 5124.42; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.456; (12)Molar Refractivity: 45.83 cm3; (13)Molar Volume: 168.3 cm3; (14)Polarizability: 18.16x10-24cm3; (15)Surface Tension: 27.2 dyne/cm; (16)Enthalpy of Vaporization: 42.74 kJ/mol; (17)Boiling Point: 209.3 °C at 760 mmHg; (18)Vapour Pressure: 0.295 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC(F)(F)C(F)F)ccc1
(2)InChI: InChI=1/C8H5BrF4O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1-4,7H
(3)InChIKey: ALQQXORYKLCHJY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H5BrF4O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1-4,7H
(5)Std. InChIKey: ALQQXORYKLCHJY-UHFFFAOYSA-N

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