424765

1,3,5-tris(trifluoromethyl)benzene

97%

• Fórmula lineal: C₆H₃(CF₃)₃
• Número de CAS: 729-81-7
• Peso molecular: 282.11
• Número MDL: MFCD00054722
• Código UNSPSC: 12352100
• ID de la sustancia en PubChem: 24866589
• NACRES: NA.22

Propiedades

• Análisis: 97%
• formulario: liquid
• índice de refracción: n20/D 1.359 (lit.)
• bp: 120 °C/750 mmHg (lit.)
• densidad: 1.514 g/mL at 25 °C (lit.)
• cadena 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
• Clave InChI: ZMAUHKSOLPYPDB-UHFFFAOYSA-N

Descripción

Descripción general

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.

Aplicación

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.

Información de seguridad

• Pictogramas: GHS02,GHS07
• Palabra de señalización: Warning
• Frases de peligro: H226,H315,H319,H335
• Consejos de prudencia: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Clasificaciones de peligro: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Órganos de actuación: Respiratory system
• Código de clase de almacenamiento: 3 - Flammable liquids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): 109.4 °F - closed cup
• Punto de inflamabilidad (°C): 43 °C - closed cup
• Equipo de protección personal: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter