424765

1,3,5-tris(trifluoromethyl)benzene

97%

• Linear Formula: C₆H₃(CF₃)₃
• CAS Number: 729-81-7
• Molecular Weight: 282.11
• MDL number: MFCD00054722
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866589
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.359 (lit.)
• bp: 120 °C/750 mmHg (lit.)
• density: 1.514 g/mL at 25 °C (lit.)
• SMILES string: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: 1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
• InChI key: ZMAUHKSOLPYPDB-UHFFFAOYSA-N

Description

General description

1,3,5-tris(trifluoromethyl)benzene is a tri-substituted benzene. It has been synthesized by reacting benzene-1,3,5-tricarboxylic acid with SF₄. Reports suggest that 1,3,5-tris(trifluoromethyl)benzene is a nonanesthetics and shows convulsant properties. Its vapor absorption spectra and corresponding solution spectra has been investigated. Its reaction with methyl lithium has been analyzed using semiempirical reaction modelling.

Application

1,3,5-tris(trifluoromethyl)benzene was used as a starting material in the synthesis of bis(2,4,6-tris(trifluoromethyl)phenyl)chloropnictines.
It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H319,H335
• Precautionary Statements: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 109.4 °F - closed cup
• Flash Point(C): 43 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves