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| CAS No.: | 426-54-0 |
|---|---|
| Name: | 2-Phenyl-1,1,1-trifluoropropan-2-ol |
| Molecular Structure: | |
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| Formula: | C9H9F3O |
| Molecular Weight: | 190.165 |
| Synonyms: | 1,1,1-Trifluoro-2-phenyl-2-propanol;2-Phenyl-1,1,1-trifluoro-2-propanol; |
| Density: | 1.238 g/cm3 |
| Boiling Point: | 223.5 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| Hazard Symbols: |
 F
|
| PSA: | 20.23000 |
| LogP: | 2.45640 |
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Specification
The 2-Phenyl-1, 1, 1-trifluoropropan-2-ol, with the CAS registry number of 426-54-0, is also known as 2-Phenyl-1, 1, 1-trifluoro-2-propanol. It belongs to the product category of Aromatic Building Blocks. This chemical's molecular formula is C9H9F3O and molecular weight is 190.16. What's more, its systematic name is called 1, 1, 1-Trifluoro-2-phenylpropan-2-ol. In addition, this chemical is highly flammable.
Physical properties about 2-Phenyl-1, 1, 1-trifluoropropan-2-ol are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.86; (6)ACD/BCF (pH 7.4): 37.86; (7)ACD/KOC (pH 5.5): 469.1; (8)ACD/KOC (pH 7.4): 469.09; (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: 1.459; (14)Molar Refractivity: 41.99 cm3; (15)Molar Volume: 153.5 cm3; (16)Surface Tension: 28.8 dyne/cm; (17)Density: 1.238 g/cm3; (18)Flash Point: 99.9 °C; (19)Enthalpy of Vaporization: 48.61 kJ/mol; (20)Boiling Point: 223.5 °C at 760 mmHg; (21)Vapour Pressure: 0.055 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(O)(c1ccccc1)C
(2) InChI: InChI=1/C9H9F3O/c1-8(13,9(10,11)12)7-5-3-2-4-6-7/h2-6,13H,1H3
(3) InChIKey: HYUUEULUXBVXSG-UHFFFAOYAV