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424765

1,3,5-tris(trifluoromethyl)benzene

97%

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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
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Quality Segment

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.

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This Item
68932720159186171
1,3,5-tris(trifluoromethyl)benzene 97%

Sigma-Aldrich

424765

1,3,5-tris(trifluoromethyl)benzene

Titration solution for quantitative analysis of butyllithium 2-propanol solution in toluene with 0.2% 1,10-phenanthroline

Sigma-Aldrich

689327

Titration solution for quantitative analysis of butyllithium

n-Butyllithium solution 2.7 M in heptane

Sigma-Aldrich

20159

n-Butyllithium solution

n-Butyllithium solution 1.6 M in hexanes

Sigma-Aldrich

186171

n-Butyllithium solution

description

97%

description

2-propanol solution in toluene with 0.2% 1,10-phenanthroline

description

2.7 M in heptane

description

1.6 M in hexanes

assay

97%

assay

-

assay

-

assay

-

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

liquid

form

liquid

form

liquid

refractive index

n20/D 1.359 (lit.)

refractive index

-

refractive index

-

refractive index

-

bp

120 °C/750 mmHg (lit.)

bp

-

bp

-

bp

-

density

1.514 g/mL at 25 °C (lit.)

density

-

density

0.71 g/mL at 20 °C

density

0.68 g/mL at 25 °C

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

3 - Flammable liquids

Flash Point (°F)

109.4 °F - closed cup

Flash Point (°C)

43 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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