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225920-05-8

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Basic Information
CAS No.: 225920-05-8
Name: (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Article Data: 101
Molecular Structure:
Molecular Structure of 225920-05-8 ((S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol)
Formula: C10H8 F6 O
Molecular Weight: 258.163
Synonyms: (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol;(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol; (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol;(S)-3',5'-Bis(trifluoromethyl)-1-phenethanol
EINECS: 218-863-9
Density: 1.457g/cm3
Melting Point: 53.0 to 57.0 °C
Boiling Point: 223.5°Cat760mmHg
Flash Point: 86.6°C
Hazard Symbols:
Safety: 24/25
PSA: 20.23000
LogP: 3.77750
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    (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

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    (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol

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Chemistry

Systematic Name: (1S)-1-[3,5-bis(Trifluoromethyl)phenyl]ethanol 
Synonyms of (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS NO.225920-05-8): (1S)-1-[3,5-bis(Trifluoromethyl)phenyl]ethanol
CAS NO: 225920-05-8
Molecular Formula: C10H8F6O 
Molecular Structure:
H bond acceptors:  1 
H bond donors:  1 
Freely Rotating Bonds:  2 
Polar Surface Area:  20.23 Å2 
Index of Refraction:  1.418 
Molar Refractivity:  47.3 cm3 
Molar Volume:  187.526 cm3 
Surface Tension:  23.681 dyne/cm 
Density:  1.377 g/cm3 
Flash Point:  60.114 °C 
Enthalpy of Vaporization:  43.579 kJ/mol 
Boiling Point:  175.787 °C at 760 mmHg 
Vapour Pressure:  0.746 mmHg at 25°C 
SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@@H](O)C Copy 
InChI: InChI=1/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m0/s1 Copy 
InChIKey: MMSCIQKQJVBPIR-YFKPBYRVBO 
Std. InChI: InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m0/s1 Copy 
Std. InChIKey: MMSCIQKQJVBPIR-YFKPBYRVSA-N 
Product Categories of (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS NO.225920-05-8): Alcohols, Hydroxy Esters and Derivatives;Chiral Compounds;API intermediates

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant