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127852-29-3

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Basic Information
CAS No.: 127852-29-3
Name: (R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHANOL
Article Data: 61
Molecular Structure:
Molecular Structure of 127852-29-3 ((R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHANOL)
Formula: C9H9F3O
Molecular Weight: 190.165
Synonyms: (1R)-1-[2-(Trifluoromethyl)phenyl]ethanol;Benzenemethanol,a-methyl-2-(trifluoromethyl)-,(R)-;
Density: 1.235 g/cm3
Boiling Point: 207.443 °C at 760 mmHg
Flash Point: 89.444 °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-2-(trifluoromethyl)-, (aR)-, with CAS registry number 127852-29-3, belongs to the following product category: Chiral. It has the systematic name of (1R)-1-[2-(trifluoromethyl)phenyl]ethanol. Besides this, it is also called (R)-1-[2-(Trifluoromethyl)phenyl]ethanol. And the chemical formula of this chemical is C9H9F3O.

Physical properties of Benzenemethanol, a-methyl-2-(trifluoromethyl)-, (aR)-: (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)Polarizability: 16.77×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 89.4 °C; (20)Enthalpy of Vaporization: 46.9 kJ/mol; (21)Boiling Point: 207.4 °C at 760 mmHg; (22)Vapour Pressure: 0.135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1[C@H](O)C
(2)InChI: InChI=1/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
(3)InChIKey: VGHBIJJTMFYTPY-ZCFIWIBFBN
(4)Std. InChI: InChI=1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
(5)Std. InChIKey: VGHBIJJTMFYTPY-ZCFIWIBFSA-N