1,3,5-Tris(trifluoromethyl)benzene

Product Name: 1,3,5-Tris(trifluoromethyl)benzene
CAS No.: 729-81-7
Chemical Name: 1,3,5-Tris(trifluoromethyl)benzene
Synonyms: 1,3,5-Tri(trifluoromethyl)benzene;1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE;Benzene, 1,3,5-tris(trifluoromethyl)-;1,3,5-Tris(trifluoromethyl)benzene97%;1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 97%;1,3,5-Tris(trifluoromethyl)benzene, 97.5%;1,3,5-Tris(trifluoromethyl)benzene ISO 9001：2015 REACH
CBNumber: CB4292698
Molecular Formula: C9H3F9
Formula Weight: 282.11
MOL File: 729-81-7.mol

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1,3,5-Tris(trifluoromethyl)benzene Property

Melting point:: 9.0 °C
Boiling point:: 120 °C/750 mmHg (lit.)
Density: 1.514 g/mL at 25 °C (lit.)
refractive index: n20/D 1.359(lit.)
Flash point:: 110 °F
solubility: Chloroform, Ethyl Acetate (Sparingly)
form: clear liquid
color: Colorless to Almost colorless
Stability:: Volatile
InChI: InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
InChIKey: ZMAUHKSOLPYPDB-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference: 729-81-7(CAS DataBase Reference)

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Safety

Hazard Codes: Xi,F
Risk Statements: 10-36/37/38
Safety Statements: 16-26-36
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III
HS Code: 29039990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 424765
Product name: 1,3,5-tris(trifluoromethyl)benzene
Purity: 97%
Packaging: 1g
Price: $93.5
Updated: 2024/03/01

Sigma-Aldrich

Product number: 424765
Product name: 1,3,5-tris(trifluoromethyl)benzene
Purity: 97%
Packaging: 5g
Price: $126
Updated: 2024/03/01

TCI Chemical

Product number: T2830
Product name: 1,3,5-Tris(trifluoromethyl)benzene
Purity: >98.0%(GC)
Packaging: 5g
Price: $133
Updated: 2024/03/01

TCI Chemical

Product number: T2830
Product name: 1,3,5-Tris(trifluoromethyl)benzene
Purity: >98.0%(GC)
Packaging: 25g
Price: $180
Updated: 2021/12/16

TRC

Product number: T876700
Product name: 1,3,5-Tris(trifluoromethyl)benzene
Packaging: 10g
Price: $575
Updated: 2021/12/16

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1,3,5-Tris(trifluoromethyl)benzene Chemical Properties,Usage,Production

Uses

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.

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.

Structure and conformation

The principal structural parameters rh1(∠h1) determined by GED are (bond lengths in Angstroms and bond angles in degrees with 3σ in parentheses): r(C C)=1.392(4), r(C?C)=1.512(4), r(C?F)av=1.346(2), ∠C–C(CF3)– C=120.9(2), ∠C–C(H)–C=119.1(2), ∠(C–C–F)av=111.6(2). The structure of the carbon ring deviates from a regular hexagon due to the σ-electronegative effect of the CF3 groups. The geometric parameters of the trifluoromethyl groups deviate considerably from regular tetrahedron arrangement[1].

References

[1] Inna N. Kolesnikova . “Molecular structure and conformation of 1,3,5-tris(trifluoromethyl)-benzene as studied by gas-phase electron diffraction and quantum chemical calculations.” Journal of Molecular Structure 1074 (2014): Pages 196-200.

1,3,5-Tris(trifluoromethyl)benzene Preparation Products And Raw materials

Raw materials

Preparation Products

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1,3,5-Tris(trifluoromethyl)benzene Suppliers

China 124 France 1 Germany 1 India 3 Japan 1 Switzerland 1 United Kingdom 6 United States 11 Global 148

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View Lastest Price from 1,3,5-Tris(trifluoromethyl)benzene manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 1,3,5-Tris(trifluoromethyl)benzene 729-81-7
Price: US $0.00-0.00/KG
Min. Order: 10mg
Purity: 99%
Supply Ability: 2000tons
Release date: 2020-01-16

Henan Fengda Chemical Co., Ltd

Product: 1,3,5-Tris(trifluoromethyl)benzene 729-81-7
Price: US $100.00-1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2023-12-26

Zhuozhou Wenxi import and Export Co., Ltd

Product: 1,3,5-tris(trifluoromethyl)benzene 729-81-7
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-06-27

729-81-7, 1,3,5-Tris(trifluoromethyl)benzeneRelated Search:

1,3,5-Tris(trifluoromethyl)benzene, 97.5%

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1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 97%

1,3,5-Tris(trifluoromethyl)benzene97%

1,3,5-Tri(trifluoromethyl)benzene

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1,3,5-Tris(trifluoromethyl)benzene ISO 9001：2015 REACH

729-81-7

C6H3CF33

C9H3F9

Aryl

C9 to C12

Building Blocks

Halogenated Hydrocarbons

Organic Building Blocks

Benzene series

C9 to C12

Aryl

Halogenated Hydrocarbons