424765
1,3,5-tris(trifluoromethyl)benzene
97%
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Fórmula lineal:
C6H3(CF3)3
Número CAS:
Peso molecular:
282.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
Servicio técnico
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Permítanos ayudarleQuality Level
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.)
functional group
fluoro
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
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.
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Clase de almacenamiento
3 - Flammable liquids
wgk
WGK 3
flash_point_f
109.4 °F - closed cup
flash_point_c
43 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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New Aspects of the Chemistry of 2,4,6-tris(trifluoromethyl) benzoic acid and related compounds.
Filler R, et al.
Journal of Fluorine Chemistry, 52(1), 99-105 (1991)
Unusual reactivity of poly (trifluoromethyl) benzenes. Semiempirical reaction modelling.
Koroniak H, et al.
Journal of Molecular Structure, 351, 187-195 (1995)
Brooker S, et al.
Organometallics, 11(1), 192-195 (1992)