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75865-45-1

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Basic Information
CAS No.: 75865-45-1
Name: 4-BROMO-2,3,5,6-TETRAFLUOROBENZYLALCOHOL
Article Data: 4
Molecular Structure:
Molecular Structure of 75865-45-1 (4-BROMO-2,3,5,6-TETRAFLUOROBENZYLALCOHOL)
Formula: C7H3BrF4O
Molecular Weight: 258.998
Synonyms: (4-Bromo-2,3,5,6-tetrafluorophenyl)methanol;4-Bromo-2,3,5,6-tetrafluorobenzyl alcohol;
Density: 1.9 g/cm3
Boiling Point: 231.4 °C at 760 mmHg
Flash Point: 93.7 °C
PSA: 20.23000
LogP: 2.49780
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Specification

The CAS register number of Benzenemethanol,4-bromo-2,3,5,6-tetrafluoro- is 75865-45-1. It also can be called as 4-Bromo-2,3,5,6-tetrafluorobenzyl alcohol and the systematic name about this chemical is (4-bromo-2,3,5,6-tetrafluorophenyl)methanol. The molecular formula about this chemical is C7H3BrF4O and the molecular weight is 259.00.

Physical properties about Benzenemethanol,4-bromo-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.99; (5)ACD/BCF (pH 7.4): 14.99; (6)ACD/KOC (pH 5.5): 241.74; (7)ACD/KOC (pH 7.4): 241.74; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 40.36 cm3; (14)Molar Volume: 136.2 cm3; (15)Polarizability: 16x10-24cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.9 g/cm3; (18)Flash Point: 93.7 °C; (19)Enthalpy of Vaporization: 49.47 kJ/mol; (20)Boiling Point: 231.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0349 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(CO)c(F)c(F)c(Br)c1F
(2)InChI: InChI=1/C7H3BrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h13H,1H2
(3)InChIKey: CANKYTKGBSRIPN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H3BrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h13H,1H2
(5)Std. InChIKey: CANKYTKGBSRIPN-UHFFFAOYSA-N