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79231

Sigma-Aldrich

(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
Beilstein:
2413959
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:

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

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Other Notes

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

79231-1ML:
79231-BULK:
79231-5ML:
79231-VAR:


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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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