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About This Item
Linear Formula:
C6H5CF3
CAS Number:
Molecular Weight:
146.11
Beilstein:
1906908
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.21
Grade:
anhydrous
Assay:
≥99%
Technique(s):
NMR: suitable
Bp:
102 °C (lit.)
Vapor pressure:
38.83 mmHg
grade
anhydrous
Quality Level
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
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General description
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Flam. Liq. 2 - STOT RE 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
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