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1-Phenyl-2,2,2-Trifluoroethanol
[CAS 340-04-5]

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Identification
Classification Organic raw materials >> Organic fluorine compound >> Fluorobenzaldehyde series
Name 1-Phenyl-2,2,2-Trifluoroethanol
Synonyms 2,2,2-Trifluoro-1-Phenyl-Ethanol; 319864_Aldrich; Nsc20214
Molecular Structure CAS#: 340-04-5, 1-Phenyl-2,2,2-Trifluoroethanol
Molecular Formula C8H7F3O
Molecular Weight 176.14
CAS Registry Number 340-04-5
SMILES C1=C(C(C(F)(F)F)O)C=CC=C1
InChI 1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
InChIKey VNOMEAQPOMDWSR-UHFFFAOYSA-N
Properties
Density 1.295 (Expl.)
1.3±0.1g/cm3 (Cal.)
Boiling point 189.665°C at 760 mmHg (Cal.)
57-59°C (Expl.)
Flash point 84°C (Expl.)
84.444°C (Cal.)
Refractive index 1.461 (Expl.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
References
(1) Toshinobu Korenaga, Kenji Nomura, Kazutaka Onoue and Takashi Sakai. Rational electronic tuning of CBS catalyst for highly enantioselective borane reduction of trifluoroacetophenone, Chem. Commun., 2010, 46, 8624.
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