α,α,α-Trifluorotoluene
SIAL/547948 - anhydrous, ≥99%
Synonym: Benzotrifluoride
CAS Number: 98-08-8
Empirical Formula (Hill Notation): C7H5F3
Molecular Weight: 146.11
EC Number: 202-635-0
MDL Number: MFCD00000372
Linear Formula: C6H5CF3
Product Type: Chemical
Anhydrous, Sureseal
Anhydrous, Sureseal
| assay | ≥99% |
| bp | 102 °C (lit.) |
| density | 1.19 g/mL at 20 °C (lit.) |
| expl. lim. | 0.34-6.3 % (lit.) |
| form | liquid |
| grade | anhydrous |
| impurities | ≤0.001% water water |
| InChI | 1S/C7H5F3/c8-7(9,10)6-4-2 |
| InChI key | GETTZEONDQJALK-UHFFFAOYSA |
| mp | −29 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | FC(F)(F)c1ccccc1 |
| technique(s) | NMR: suitable |
| vapor density | 5.04 (vs air) |
| vapor pressure | 38.83 mmHg |
| Application: | α,α,α-Trifluorotoluene may be used as an internal standard for 19F NMR spectroscopic determination of copper-catalyzed trifluoromethylation of alkenes. |
| 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. |
| Packaging: | 1, 2 L in Sure/Seal™ |
| Packaging: | 100 mL in Sure/Seal™ |
| Symbol |   GHS02,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H411 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P273 |
| Hazard Codes | F,N |
| Risk Statements | 11-51/53 |
| Safety Statements | 16-23-61 |
| RIDADR | UN 2338 3 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 46.4 °F - closed cup |
| Flash Point(C) | 8 °C - closed cup |
| Purity | ≥99% |
| bp | 102 °C (lit.) |
| mp | −29 °C (lit.) |
| Density | 1.19 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352002 |