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CAS No.: | 292621-48-8 |
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Name: | 3-BROMO-2,4,5,6-TETRAFLUOROBENZYLALCOHOL |
Molecular Structure: | |
Formula: | C7H3BrF4O |
Molecular Weight: | 259.00 |
Synonyms: | 3-Bromo-2,4,5,6-tetrafluorobenzyl alcohol; |
Density: | 1.9 g/cm3 |
Boiling Point: | 232.6 °C at 760 mmHg |
Flash Point: | 94.5 °C |
PSA: | 20.23000 |
LogP: | 2.49780 |
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The Benzenemethanol,3-bromo-2,4,5,6-tetrafluoro-, with the CAS registry number 292621-48-8, is also known as 3-Bromo-2,4,5,6-tetrafluorobenzyl alcohol. This chemical's molecular formula is C7H3BrF4O and molecular weight is 259.00. What's more, both its IUPAC name and systematic name are the same which is called (3-Bromo-2,4,5,6-tetrafluorophenyl)methanol.
Physical properties about Benzenemethanol,3-bromo-2,4,5,6-tetrafluoro- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.91; (6)ACD/BCF (pH 7.4): 12.91; (7)ACD/KOC (pH 5.5): 217.15; (8)ACD/KOC (pH 7.4): 217.15; (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)Surface Tension: 38.6 dyne/cm; (17)Density: 1.9 g/cm3; (18)Flash Point: 94.5 °C; (19)Enthalpy of Vaporization: 49.59 kJ/mol; (20)Boiling Point: 232.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0326 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(CO)c(F)c(Br)c1F
(2) InChI: InChI=1S/C7H3BrF4O/c8-3-4(9)2(1-13)5(10)7(12)6(3)11/h13H,1H2
(3) InChIKey: YRVKHWJYGXZUDV-UHFFFAOYSA-N