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ChemicalBook >> CAS DataBase List >>1,3,5-Tris(trifluoromethyl)benzene

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
Molecular Weight:
282.11
MDL Number:
MFCD00054722
MOL File:
729-81-7.mol
MSDS File:
SDS
Last updated:2024-01-11 10:30:13

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

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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H319-H335
Precautionary statements  P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
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
NFPA 704
2
0 0

1,3,5-Tris(trifluoromethyl)benzene price More Price(21)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 424765 1,3,5-tris(trifluoromethyl)benzene 97% 729-81-7 1g $93.5 2024-03-01 Buy
Sigma-Aldrich 424765 1,3,5-tris(trifluoromethyl)benzene 97% 729-81-7 5g $126 2024-03-01 Buy
TCI Chemical T2830 1,3,5-Tris(trifluoromethyl)benzene >98.0%(GC) 729-81-7 5g $133 2024-03-01 Buy
TCI Chemical T2830 1,3,5-Tris(trifluoromethyl)benzene >98.0%(GC) 729-81-7 25g $180 2021-12-16 Buy
TRC T876700 1,3,5-Tris(trifluoromethyl)benzene 729-81-7 10g $575 2021-12-16 Buy
Product number Packaging Price Buy
424765 1g $93.5 Buy
424765 5g $126 Buy
T2830 5g $133 Buy
T2830 25g $180 Buy
T876700 10g $575 Buy

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

Global( 147)Suppliers
Supplier Tel Email Country ProdList Advantage
LEAPCHEM CO., LTD. 		+86-852-30606658 market18@leapchem.com China 43340 58
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20287 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718 +86-13336195806 sales@capot.com China 29791 60
Shanghai Daken Advanced Materials Co.,Ltd 		+86-371-66670886 info@dakenam.com China 18747 58
Fluoropharm Co., Ltd. 		+86-0571-85586753; +8613336034509 sales@fluoropharm.com China 1376 60
Xi'an Kono chem co., Ltd., 		029-86107037 13289246953 info@konochemical.com China 2993 58
Hubei xin bonus chemical co. LTD 		86-13657291602 linda@hubeijusheng.com CHINA 22963 58
Wuhan Chemwish Technology Co., Ltd 		027-67849912 sales@chemwish.com CHINA 10821 58
CONIER CHEM AND PHARMA LIMITED 		+8618523575427 sales@conier.com China 49374 58
career henan chemical co 		+86-0371-86658258 +8613203830695 factory@coreychem.com China 29811 58

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1,3,5-Tris(trifluoromethyl)benzene pictures 2024-11-05 1,3,5-Tris(trifluoromethyl)benzene
729-81-7
 US $0.00-0.00 / KG 10mg 99% 2000tons Shaanxi Dideu Medichem Co. Ltd
1,3,5-Tris(trifluoromethyl)benzene pictures 2023-12-26 1,3,5-Tris(trifluoromethyl)benzene
729-81-7
 US $100.00-1.00 / KG 1KG 99% g-kg-tons, free sample is available Henan Fengda Chemical Co., Ltd
1,3,5-tris(trifluoromethyl)benzene pictures 2021-07-02 1,3,5-tris(trifluoromethyl)benzene
729-81-7
 US $15.00-10.00 / KG 1KG 99%+ HPLC Monthly supply of 1 ton Zhuozhou Wenxi import and Export Co., Ltd

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

1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 97% 1,3,5-Tris(trifluoromethyl)benzene97% 1,3,5-Tri(trifluoromethyl)benzene 1,3,5-Tris(trifluoromethyl)benzene, 97.5% Benzene, 1,3,5-tris(trifluoromethyl)- 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