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| CAS No.: | 340-06-7 |
|---|---|
| Name: | (S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL |
| Molecular Structure: | |
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| Formula: | C8H7F3O |
| Molecular Weight: | 176.138 |
| Synonyms: | Benzenemethanol,α-(trifluoromethyl)-, (S)-;Benzylalcohol, α-(trifluoromethyl)-, (S)-(+)-(8CI);(+)-1-Phenyl-2,2,2-trifluoroethanol;(+)-2,2,2-Trifluoro-1-phenylethanol;(+)-α-(Trifluoromethyl) benzyl alcohol;(S)-(+)-2,2,2-Trifluoro-1-phenylethanol;(S)-1-Phenyl-2,2,2-trifluoroethanol;(S)-α-(Trifluoromethyl)benzyl alcohol; |
| EINECS: | 206-430-7 |
| Density: | 1.286 g/cm3 |
| Boiling Point: | 189.7 °C at 760 mmHg |
| Flash Point: | 84.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 2.28230 |
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Specification
The Benzenemethanol, α-(trifluoromethyl)-, (αS)-, with the CAS registry number 340-06-7, is also known as (S)-α-(Trifluoromethyl)benzyl alcohol. It belongs to the product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds. Its EINECS number is 206-430-7. This chemical's molecular formula is C8H7F3O and molecular weight is 176.14. What's more, its IUPAC name is 2,2,2-trifluoro-1-phenylethanol. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Benzenemethanol, α-(trifluoromethyl)-, (αS)- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/BCF (pH 5.5): 20.54; (5)ACD/KOC (pH 5.5): 302.78; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 37.79 cm3; (11)Molar Volume: 136.8 cm3; (12)Polarizability: 14.98×10-24cm3; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 1.286 g/cm3; (15)Flash Point: 84.4 °C; (16)Enthalpy of Vaporization: 45.03 kJ/mol; (17)Boiling Point: 189.7 °C at 760 mmHg; (18)Vapour Pressure: 0.357 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C(F)(F)F)O
(2)InChI: InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
(3)InChIKey: VNOMEAQPOMDWSR-UHFFFAOYSA-N