ChemicalBook--->CAS DataBase List--->340-06-7

340-06-7

340-06-7 Structure

340-06-7 Structure
IdentificationBack Directory
[Name]

(S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL
[CAS]

340-06-7
[Synonyms]

(+)-PHENYL(TRIFLUOROMETHYL)CARBINOL
(S)-2,2,2-TRIFLUORO-1-PHENYL-ETHANOL
(1S)-1-Phenyl-2,2,2-trifluoroethanol
(1S)-2,2,2-Trifluoro-1-phenyl-ethanol
(S)-α-(Trifluoromethyl)benzenemethanol
(αS)-α-(Trifluoromethyl)benzenemethanol
(S)-(+)-1-PHENYL-2,2,2-TRIFLUOROETHANOL
(S)-(+)-2,2,2-TRIFLUORO-1-PHENYLETHANOL
(S)-(+)-α-(TRIFLUOROMETHYL)BENZYLALCOHOL
(s)-(+)-α-(trifluoromethyl)benzyl alcohol
(S)-2,2,2-Trifluoro-1-phenylethanol,99%e.e.
(S)-(+)-α-(Trifluoromethyl)benzylAlcohol>
(1S)-(+)-1-Phenyl-2,2,2-trifluoroethan-1-ol
Benzenemethanol, α-(trifluoromethyl)-, (αS)-
(S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL
(alphaS)-alpha-(Trifluoromethyl)benzenemethanol
(1S)-(+)-1-Phenyl-2,2,2-trifluoroethan-1-ol 99%
(S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol 99%
(S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL AL COHOL, 99% (97% EE/GLC)
(+)-Phenyl(trifluoromethyl)carbinol, (S)-(+)-1-Phenyl-2,2,2-trifluoroethanol
[EINECS(EC#)]

206-430-7
[Molecular Formula]

C8H7F3O
[MDL Number]

MFCD00077845
[MOL File]

340-06-7.mol
[Molecular Weight]

176.14
Chemical PropertiesBack Directory
[Boiling point ]

73-76 °C9 mm Hg(lit.)
[density ]

1.3 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.462(lit.)
[Fp ]

184 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[pka]

11.91±0.10(Predicted)
[color ]

Clear colorless to pale yellow
[Optical Rotation]

[α]20/D +31.3±0.5°, neat
[BRN ]

2327547
[InChI]

1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
[InChIKey]

VNOMEAQPOMDWSR-ZETCQYMHSA-N
[SMILES]

O[C@@H](c1ccccc1)C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[F ]

10-23
[HS Code ]

29062990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(S)?-?(+)?-?α-?(Trifluoromethyl)?benzyl Alcohol is used in the synthesis of metal-organic framework compounds which may have mesoporous properties.
[Purification Methods]

Purify the chiral alcohols by fractional distillation preferably in a vacuum. [Morrison & Ridgeway Tetrahedron Lett 573 1969, NMR: Pirkle & Beare J Am Chem Soc 90 6250 1968.] The racemate [340-05-6] has b 52-54o/2mm,57-59o/2mm, 64-65o/5mm, d 4 20 1.293, n D 20 1.457, and the 2-carbobenzoyl derivative has m 137-138o [Mosher et al. J Am Chem Soc 78 4374 1956]. [Beilstein 6 IV 3043.]
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL(340-06-7)1HNMR
(S)-(+)-ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL(340-06-7)IR
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