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CAS No.: | 292621-47-7 |
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Name: | 2-BROMO-3,4,5,6-TETRAFLUOROBENZYLALCOHOL |
Molecular Structure: | |
Formula: | C7H3BrF4O |
Molecular Weight: | 258.9957328 |
Synonyms: | 2-Bromo-3,4,5,6-tetrafluorobenzyl alcohol; |
Density: | 1.9 g/cm3 |
Boiling Point: | 232.5 °C at 760 mmHg |
Flash Point: | 94.4 °C |
PSA: | 20.23000 |
LogP: | 2.49780 |
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The Benzenemethanol, 2-bromo-3, 4, 5, 6-tetrafluoro-, with the CAS registry number 292621-47-7, is also known as 2-Bromo-3, 4, 5, 6-tetrafluorobenzyl alcohol. This chemical's molecular formula is C7H3BrF4O and molecular weight is 258.9957328. What's more, its IUPAC name is (2-Bromo-3, 4, 5, 6-tetrafluorophenyl)methanol.
Physical properties about Benzenemethanol, 2-bromo-3, 4, 5, 6-tetrafluoro- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.82; (6)ACD/BCF (pH 7.4): 11.82; (7)ACD/KOC (pH 5.5): 203.86; (8)ACD/KOC (pH 7.4): 203.85; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 40.36 cm3; (15)Molar Volume: 136.2 cm3; (16)Polarizability: 16×10-24 cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.9 g/cm3; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 49.59 kJ/mol; (21)Boiling Point: 232.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0326 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(F)c(CO)c(Br)c1F
(2) InChI: InChI=1/C7H3BrF4O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
(3) InChIKey: ZFUAHFYDXOLWST-UHFFFAOYAF