Description
α,α,α-Trifluorotoluene
anhydrous, ≥99%
Synonym: Benzotrifluoride
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CAS Number 98-08-8
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Linear Formula C6H5CF3
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Molecular Weight 146.11
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Beilstein/REAXYS Number 1906908
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EC Number 202-635-0
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MDL number MFCD00000372
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PubChem Substance ID 57651484
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NACRES NA.21
Properties
| Related Categories | Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents,
Sure/Seal Bottles
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| Quality Level | 100 |
| grade | anhydrous |
| vapor density | 5.04 (vs air) |
| vapor pressure | 38.83 mmHg |
| assay | ≥99% |
| expl. lim. | 0.34-6.3 % (lit.) |
| 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 |
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.[1] TFT undergoes photocycloaddition with cyclopentene to form cyano-substituted tetracyclo[6.3.0.02,11.03,7]undec-9-enes.[2] The nuclear magnetic resonance spectral data of TFT has been reported.[3] The bimolecular rate constants of the aqueous phase reactions between sulfate and phosphate radicals with TFT have been determined by conventional flash-photolysis.[4]
Application
α,α,α-Trifluorotoluene may be used as an internal standard for 19F NMR spectroscopic determination of copper-catalyzed trifluoromethylation of alkenes.[5]
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
Safety Information
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MilliporeSigmaa,a,a -Trifluorotoluene, anhydrous, 2L
SKU: 547948-2L
$163.00α,α,α-Trifluorotoluene, anhydrous, ≥99%, 2L Synonym(s): Benzotrifluoride Linear Formula: C6H5CF3 CAS Number: 98-08-8 Molecular Weight: 146.11 Beilstein: 19069 -
MilliporeSigmaEthyl acetate anhydrous, (100mL)
SKU: 270989-100ML
$58.70Ethyl acetate anhydrous, 99.8% Synonym: EtOAc CAS Number 141-78-6 Linear Formula CH3COOC2H5 Molecular Weight 88.11 Beilstein Registry Number 506104 MDL number MFCD00009171 ... -
MilliporeSigmaButyl acetate anhydrous, (100mL)
SKU: 287725-100ML
$99.70287725 Sigma-Aldrich Butyl acetate anhydrous, ≥99% Synonym: n-Butyl acetate CAS Number 123-86-4 Linear Formula CH3COO(CH2)3CH3 Molecular Weight 116... -
MilliporeSigma2-Butanol anhydrous, (100mL)
SKU: 294810-100ML
$61.7094810 Sigma-Aldrich 2-Butanol anhydrous, 99.5% Synonym: sec-Butyl alcohol CAS Number 78-92-2 Linear Formula CH3CH2CH(OH)CH3 Molecular Weight 74.12 ... -
MilliporeSigma2-Propanol anhydrous, (100mL)
SKU: 278475-100ML
$64.80278475 Sigma-Aldrich 2-Propanol anhydrous, 99.5% Synonym: sec-Propyl alcohol, IPA, Isopropanol, Isopropyl alcohol CAS Number 67-63-0 Linear Formula (CH3)2CHOH ... -
MilliporeSigmaN,N-Dimethylacetamide, anhydrous, 100ML
SKU: 271012-100ML
$79.30N,N-Dimethylacetamide, anhydrous, 99.8%, 100ML Synonym(s): DMAc Linear Formula: CH3CON(CH3)2 CAS Number: 127-19-5 Molecular Weight: 87.12 Beilstein: 1737614 -
MilliporeSigmaChloroform anhydrous, contains ethanol as stabilizer, 100ML
SKU: 288306-100ML
$59.70Chloroform anhydrous, ≥99%, contains 0.5-1.0% ethanol as stabilizer, 100ML Synonym: Methylidyne trichloride, Trichloromethane CAS Number 67-66-3 Empirical Formula (Hill... -
MilliporeSigmaa,a,a Trifluorotoluene, 500G
SKU: T63703-500G
$87.00α,α,α-Trifluorotoluene ≥99%, 500G Synonym: Benzotrifluoride CAS Number 98-08-8 Linear Formula C6H5CF3 Molecular Weight 146.11 Beilstein/REAXYS... -
MilliporeSigmaChloroform anhydrous, contains ethanol as stabilizer, 12 x 100ML
SKU: 288306-12X100ML
$572.00Chloroform anhydrous, ≥99%, contains 0.5-1.0% ethanol as stabilizer, 12 x 100ML Synonym: Methylidyne trichloride, Trichloromethane CAS Number 67-66-3 Empirical Formula (Hill...
