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