Chinese Japanese Germany Korea
ChemicalBook >> CAS DataBase List >>1,3,5-Tris(trifluoromethyl)benzene

1,3,5-Tris(trifluoromethyl)benzene

1,3,5-Tris(trifluoromethyl)benzene Structure
1,3,5-Tris(trifluoromethyl)benzene structure
CAS No.
729-81-7
Chemical Name:
1,3,5-Tris(trifluoromethyl)benzene
Synonyms
1,3,5-Tris(trifluoromethyl)benzene, 97.5%;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 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
TDS File:
TDS
Last updated:2026-05-28 02:17:09
Request For Quotation

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)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H319-H335
Precautionary statements  P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704
2
0 0

1,3,5-Tris(trifluoromethyl)benzene price More Price(37)

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 $102 2026-04-30 Buy
Sigma-Aldrich 424765 1,3,5-tris(trifluoromethyl)benzene 97% 729-81-7 5g $139 2026-04-30 Buy
TCI Chemical T2830 1,3,5-Tris(trifluoromethyl)benzene >98.0%(GC) 729-81-7 5g $307 2026-04-30 Buy
TCI Chemical T2830 1,3,5-Tris(trifluoromethyl)benzene >98.0%(GC) 729-81-7 25g $180 2021-12-16 Buy
Apolloscientific PC7919 1,3,5-Tris(trifluoromethyl)benzene 96% 729-81-7 1g $44 2026-06-04 Buy
Product number Packaging Price Buy
424765 1g $102 Buy
424765 5g $139 Buy
T2830 5g $307 Buy
T2830 25g $180 Buy
PC7919 1g $44 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(CC)=1.512(4), r(CF)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

3,5-Bis(trifluoromethyl)benzoic acid 2,4,6-Tris(trifluoromethyl)benzoyl chloride Methyl 2,4,6-Tris(trifluoromethyl)benzoate

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

Global Suppliers ( 162)
Supplier Tel Email Country ProdList Advantage
Shaanxi Didu New Material Co., Ltd 81124267 17392282731 1046@dideu.com China 10000 58
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Beijing HwrkChemical Technology Co., Ltd 89508211 18501085097 sales.bj@hwrkchemical.com China 9407 55
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Wuhan Chemwish Technology Co., Ltd 86-027-67849912 sales@chemwish.com China 35884 56
JinYan Chemicals(ShangHai) Co.,Ltd. 13817811078 sales@jingyan-chemical.com China 9963 60
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. +86-21-54098501 sales@sinch.com.cn China 11592 64
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Record Tech (Shanghai) Co., LTD 13761627472 183009664@qq.com China 660 62
Supplier Advantage
Shaanxi Didu New Material Co., Ltd 58
J & K SCIENTIFIC LTD. 76
TCI (Shanghai) Development Co., Ltd. 81
Beijing HwrkChemical Technology Co., Ltd 55
Energy Chemical 61
Wuhan Chemwish Technology Co., Ltd 56
JinYan Chemicals(ShangHai) Co.,Ltd. 60
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. 64
Shanghai Hanhong Scientific Co.,Ltd. 64
Record Tech (Shanghai) Co., LTD 62

View Latest 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 2026-09-02 1,3,5-Tris(trifluoromethyl)benzene
729-81-7
 $1.00-100.00 1KG 99% Henan Fengda Chemical Co., Ltd
1,3,5-Tris(trifluoromethyl)benzene pictures 2026-06-30 1,3,5-Tris(trifluoromethyl)benzene
729-81-7
 1KG 98.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
1,3,5-tris(trifluoromethyl)benzene pictures 2021-07-02 1,3,5-tris(trifluoromethyl)benzene
729-81-7
 $10.00-15.00 1KG 99%+ HPLC Zhuozhou Wenxi import and Export Co., Ltd

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

1,3,5-Tris(trifluoromethyl)benzene(729-81-7)IR

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

Benzotrifluoride 1,3,5-Tris(trifluoromethyl)benzene 2,4,6-Tris(trifluoromethyl)phenol 2-Bromo-1,3,5-tris(trifluoromethyl)benzene, tech 2,3,4,5,6-Pentakistrifluoromethylphenol
2,4,6-Tris(trifluoromethyl)bromobenzene 2,4,6-Tris(trifluoromethyl)benzoic acid 2,4,6-Tris(trifluoromethyl)aniline 1-Chloro-2,4,6-tris(trifluoromethyl)benzene 2-Bromo-1,3,5-tris(trifluoromethyl)benzene
2,4,6-Tris(trifluoromethyl)benzamide 1-Chloro-2,4,5-tris-trifluoromethyl-benzene 2,3,4,5,6-Pentakis(trifluoromethyl)aniline Perfluoro(1,3,5-trimethylbenzene) 2,4,6-Tris(trifluoromethyl)benzoyl chloride

1of3

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 Benzene, 1,3,5-tris(trifluoromethyl)- 1,3,5-Tris(trifluoromethyl)benzene ISO 9001：2015 REACH 1,3,5-Tris(trifluoromethyl)benzene, 97.5% 729-81-7 C6H3CF33 C9H3F9 Aryl C9 to C12 Building Blocks Halogenated Hydrocarbons Organic Building Blocks Benzene series C9 to C12 Aryl Halogenated Hydrocarbons