1,3-Bis(trifluoromethyl)benzene

• Catalog No.: A11360
• CAS Number: 402-31-3
• M. F.: C8H4F6
• M. W.: 214.1077792
• Purity: 98+%

SYNONYMS

• Title: 1,3-双(三氟甲基)苯
• IUPAC name: 1,3-bis(trifluoromethyl)benzene
• IUPAC Traditional name: 1,3-bis(trifluoromethyl)benzene
• Synonyms: alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xylene

DATABASE IDS

• MDL Number: MFCD00000392
• CAS Number: 402-31-3
• EC Number: 206-939-4
• Beilstein Number: 2052589

PROPERTIES

• Purity: 98+%
• Boiling Point: 115-117°C
• Density: 1.378
• Flash Point: 26°C(78°F)
• Melting Point: -35°C
• Refractive Index: 1.3790
• GHS Hazard statements: H226-H315-H319-H335
• European Hazard Symbols: Irritant (Xi)
• GHS Precautionary statements: P210-P260-P280G-P305+P351+P338
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• Hazard Class: 3
• UN Number: UN1993
• Packing Group: III

REFERENCES

• Metallation with n-BuLi in diethyl ether is unselective, giving, on quenching with CO₂, a mixture of 2,4- and 2,6-bis(trifluoromethyl)benzoic acids: J. Organomet. Chem., 67, 321 (1974). The superbasic n-BuLi/KO-t-Bu combination leads to almost exclusive 2-metallation, allowing the 2,6-bis(trifluoromethyl) acid to be isolated in 78% yield. In contrast, a combination of sec-BuLi and N,N,N',N',N'-pentamethyldiethylenetriamine leads to the 2,4-bis(trifluoromethyl) acid as the main product: Synlett, 747 (1990).