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:
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.)
SMILES string
O[C@H](c1ccccc1)C(F)(F)F
InChI
1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m1/s1
InChI key
VNOMEAQPOMDWSR-SSDOTTSWSA-N
Other Notes
Chiral solvent for the determination of enantiomeric composition by NMR ; Chiral auxiliary
signalword
Warning
hcodes
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)