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CAS No.: | 118289-07-9 |
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Name: | 2,4,6-TRIFLUOROBENZYL ALCOHOL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H5F3O |
Molecular Weight: | 162.111 |
Synonyms: | (2,4,6-Trifluorophenyl)methanol;2,4,6-Trifluorobenzyl alcohol; |
EINECS: | 210-638-3 |
Density: | 1.398 g/cm3 |
Boiling Point: | 179.5 °C at 760 mmHg |
Flash Point: | 77.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 20.23000 |
LogP: | 1.59620 |
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The Benzenemethanol, 2, 4, 6-trifluoro-, with the CAS registry number 118289-07-9, is also known as 2, 4, 6-Trifluorobenzenemethanol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Miscellaneous. This chemical's molecular formula is C7H5F3O and molecular weight is 162.11. What's more, its IUPAC name is (2, 4, 6-Trifluorophenyl)methanol.
Physical properties about Benzenemethanol, 2, 4, 6-trifluoro- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.75; (6)ACD/BCF (pH 7.4): 5.75; (7)ACD/KOC (pH 5.5): 121.76; (8)ACD/KOC (pH 7.4): 121.76; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 32.68 cm3; (15)Molar Volume: 115.8 cm3; (16)Polarizability: 12.95×10-24 cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 77.5 °C; (20)Enthalpy of Vaporization: 43.97 kJ/mol; (21)Boiling Point: 179.5 °C at 760 mmHg; (22)Vapour Pressure: 0.613 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)cc(F)c1CO
(2) InChI: InChI=1/C7H5F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
(3) InChIKey: YJQDVBPZXNALEE-UHFFFAOYAQ