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Merck
CN

79231

(R)-(−)-α-(Trifluoromethyl)benzyl alcohol

puriss., ≥99.0% (sum of enantiomers, GC)

Synonym(s):

(−)-Phenyl(trifluoromethyl)carbinol, (R)-(−)-1-Phenyl-2,2,2-trifluoroethanol

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About This Item

Linear Formula:
C6H5CH(CF3)OH
CAS Number:
Molecular Weight:
176.14
EC Number:
234-094-1
UNSPSC Code:
12352002
PubChem Substance ID:
Beilstein/REAXYS Number:
2413959
MDL number:
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InChI key

VNOMEAQPOMDWSR-SSDOTTSWSA-N

InChI

1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m1/s1

SMILES string

O[C@H](c1ccccc1)C(F)(F)F

grade

puriss.

assay

≥99.0% (sum of enantiomers, GC)

optical activity

[α]20/D −31.5±0.5°, neat

optical purity

enantiomeric ratio: ≥98:2 (GC)

refractive index

n20/D 1.459 (lit.), n20/D 1.462

bp

73-76 °C/9 mmHg (lit.)

mp

20 °C (lit.)

density

1.300 g/mL at 20 °C (lit.)

Other Notes

Chiral solvent for the determination of enantiomeric composition by NMR ; Chiral auxiliary

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

188.6 °F - closed cup

flash_point_c

87 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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M. Bucciarelli et al.
Journal of the Chemical Society. Perkin Transactions 1, 2152-2152 (1980)
A. Forni et al.
Journal of the Chemical Society. Chemical Communications, 588-588 (1981)
Pirkle, W.H. and Rinaldi, P.L.
The Journal of Organic Chemistry, 42, 3217-3217 (1977)

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