424765

1,3,5-tris(trifluoromethyl)benzene

97%

• Formule linéaire : C₆H₃(CF₃)₃
• Numéro CAS: 729-81-7
• Poids moléculaire : 282.11
• Numéro MDL: MFCD00054722
• Code UNSPSC : 12352100
• ID de substance PubChem : 24866589
• Nomenclature NACRES : NA.22

Propriétés

• Pureté: 97%
• Forme: liquid
• Indice de réfraction: n20/D 1.359 (lit.)
• Point d'ébullition: 120 °C/750 mmHg (lit.)
• Densité: 1.514 g/mL at 25 °C (lit.)
• Chaîne SMILES: 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
• Clé InChI: ZMAUHKSOLPYPDB-UHFFFAOYSA-N

Description

Description générale

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.

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H226,H315,H319,H335
• Conseils de prudence: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Classification des risques: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Organes cibles: Respiratory system
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 109.4 °F - closed cup
• Point d'éclair (°C): 43 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter