424765
1,3,5-tris(trifluoromethyl)benzene
97%
Sign In to View Organizational & Contract Pricing.
Select a Size
About This Item
Linear Formula:
C6H3(CF3)3
CAS Number:
Molecular Weight:
282.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
InChI
1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
SMILES string
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI key
ZMAUHKSOLPYPDB-UHFFFAOYSA-N
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
Quality Level
Related Categories
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
Storage Class
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
Regulatory Information
危险化学品
This item has
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
Unusual reactivity of poly (trifluoromethyl) benzenes. Semiempirical reaction modelling.
Koroniak H, et al.
Journal of Molecular Structure, 351, 187-195 (1995)
The Near Ultraviolet Absorption Spectra of 1,4 Bis-(Trifluoromethyl) Benzene and 1,3,5 Tris-(Trifluoromethyl) Benzene.
Cooper CD and Noegel FW.
J. Chem. Phys. , 20(12), 1903-1907 (1952)
Brooker S, et al.
Organometallics, 11(1), 192-195 (1992)
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)
Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl) phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3.
Burford N, et al.
Organometallics, 19(2), 152-155 (2000)
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service