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127852-24-8

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Basic Information
CAS No.: 127852-24-8
Name: (R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANOL
Article Data: 111
Molecular Structure:
Molecular Structure of 127852-24-8 ((R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANOL)
Formula: C9H9F3O
Molecular Weight: 190.165
Synonyms: (1R)-1-[3-(Trifluoromethyl)phenyl]ethan-1-ol;
Density: 1.234 g/cm3
Boiling Point: 206.9 °C at 760 mmHg
Flash Point: 96.1 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 20.23000
LogP: 2.75870
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Specification

The Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aR)-, with the CAS registry number of 127852-24-8, is also known as (1R)-1-[3-(Trifluoromethyl)phenyl]ethan-1-ol. Its molecular formula is C9H9F3O and molecular weight is 190.16. What's more, its IUPAC name is (1R)-1-[3-(Trifluoromethyl)phenyl]ethanol.

Physical properties about the Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aR)- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.98; (6)ACD/BCF (pH 7.4): 17.98; (7)ACD/KOC (pH 5.5): 275.3; (8)ACD/KOC (pH 7.4): 275.3; (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: 1.461; (14)Molar Refractivity: 42.31 cm3; (15)Molar Volume: 154 cm3; (16)Surface Tension: 28.6 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 96.1 °C; (19)Enthalpy of Vaporization: 46.84 kJ/mol; (20)Boiling Point: 206.9 °C at 760 mmHg; (21)Vapour Pressure: 0.14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccc(c1)[C@H](O)C
(2) InChI: InChI=1/C9H9F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
(3) InChIKey: YNVXCOKNHXMBQC-ZCFIWIBFBF