Benzotrifluoride

• Catalog No.: B21340
• CAS Number: 98-08-8
• M. F.: C7H5F3
• M. W.: 146.1098096
• Purity: 99%

SYNONYMS

• Title: 三氟甲苯
• IUPAC name: (trifluoromethyl)benzene
• IUPAC Traditional name: (trifluoromethyl)-benzene
• Synonyms: BTF; (Trifluoromethyl)benzene

DATABASE IDS

• MDL Number: MFCD00000372
• CAS Number: 98-08-8
• EC Number: 202-635-0
• Merck Index: 141110
• Beilstein Number: 1906908

PROPERTIES

• Purity: 99%
• Boiling Point: 101-103°C
• Density: 1.188
• Flash Point: 12°C(54°F)
• Melting Point: -29°C
• Refractive Index: 1.4145
• GHS Hazard statements: H225-H411-H401
• European Hazard Symbols: Flammable (F)
• European Hazard Symbols: Nature polluting (N)
• GHS Precautionary statements: P210-P261-P273
• Risk Statements: 11-51/53
• RTECS: XT9450000
• Safety Statements: 16-23-61
• TSCA Listed: 是
• Hazard Class: 3
• UN Number: UN2338
• Packing Group: II

REFERENCES

• Non-chlorinated alternative solvent to dichloromethane for a variety of reactions including Swern, Dess-Martin and hydrogen peroxide oxidations, and Lewis acid promoted reactions: J. Org. Chem., 62, 450 (1997).
• Metallation of benzotrifluoride with n-BuLi in diethyl ether is unselective, giving, on quenching with CO₂, a mixture consisting largely of ortho- and meta-trifluoromethyl benzoic acids: J. Am. Chem. Soc., 68, 1658 (1946). Use of the superbasic combination of n-BuLi and KO-t-Bu was found to give regioselective ortho-metallation, leading to high yields of the ortho-acid: Synlett, 747 (1990).