a,a,a -Trifluorotoluene, anhydrous, 2L

SKU:
547948-2L
$163.00

Description

α,α,α-Trifluorotoluene, anhydrous, ≥99%, 2L

Synonym(s):
Benzotrifluoride
Linear Formula:
C6H5CF3
CAS Number:
98-08-8
Molecular Weight:
146.11
Beilstein:
1906908
EC Number:
202-635-0
MDL number:
MFCD00000372
PubChem Substance ID:
57651484
NACRES:
NA.21

Quality Level

100

grade

anhydrous

vapor density

5.04 (vs air)

vapor pressure

38.83 mmHg

assay

≥99%

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.001% water
water

refractive index

n20/D 1.414 (lit.)

bp

102 °C (lit.)

mp

−29 °C (lit.)

density

1.19 g/mL at 20 °C (lit.)

SMILES string

FC(F)(F)c1ccccc1

InChI

1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

GETTZEONDQJALK-UHFFFAOYSA-N

α,α,α-Trifluorotoluene (TFT) is a potential substitute solvent for reactions carried out in dichloromethane and related solvents. It is also applicable in fluorous synthesis as an organic/fluorous hybrid solvent. TFT undergoes photocycloaddition with cyclopentene to form cyano-substituted tetracyclo[6.3.0.02,11.03,7]undec-9-enes. The nuclear magnetic resonance spectral data of TFT has been reported. The bimolecular rate constants of the aqueous phase reactions between sulfate and phosphate radicals with TFT have been determined by conventional flash-photolysis.

Application

α,α,α-Trifluorotoluene may be used as an internal standard for 19F NMR spectroscopic determination of copper-catalyzed trifluoromethylation of alkenes.

Packaging

1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Pictograms

GHS02,GHS09

Signal Word

Danger

Hazard Statements

H225 - H411

Precautionary Statements

P210 - P233 - P240 - P241 - P242 - P273

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

46.4 °F - closed cup

Flash Point(C)

8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves