547948

α,α,α-Trifluorotoluene

anhydrous, ≥99%

• 동의어(들): Benzotrifluoride
• Linear Formula: C₆H₅CF₃
• CAS Number: 98-08-8
• Molecular Weight: 146.11
• Beilstein: 1906908
• EC Number: 202-635-0
• MDL number: MFCD00000372
• UNSPSC 코드: 12352002
• PubChem Substance ID: 57651484
• NACRES: NA.21
• Grade: anhydrous
• 분석: ≥99%
• 기술: NMR: suitable
• bp: 102 °C (lit.)
• vapor pressure: 38.83 mmHg

속성

• Grade: anhydrous
• Quality Level: 200
• vapor density: 5.04 (vs air)
• vapor pressure: 38.83 mmHg
• 분석: ≥99%
• 양식: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• 기술: NMR: suitable
• 불순물: ≤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

설명

일반 설명

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[6.3.0.0^2,11.0^3,7]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.

애플리케이션

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

안전성 정보

• 픽토그램: GHS02,GHS08,GHS09
• 신호어: Danger
• 유해 및 위험 성명서: H225,H373,H411
• 예방조치 성명서: P210 - P233 - P240 - P241 - P273 - P314
• 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
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter