Skip to Content
Merck

Key Documents

View All Documentation

424765

1,3,5-tris(trifluoromethyl)benzene

97%

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
C6H3(CF3)3
CAS Number:
729-81-7
Molecular Weight:
282.11
NACRES:
NA.22
PubChem Substance ID:
24866589
UNSPSC Code:
12352100
MDL number:
MFCD00054722
Assay:
97%
Form:
liquid
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

100

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
06825AJ
03302AJ
03120MD
08609CD
10222TC

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
View All Related Papers