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1,3,5-Tris(trifluoromethyl)benzene

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

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

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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)

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

Hazard Note

Flammable

HazardClass

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

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( 137)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
LEAPCHEM CO., LTD.	+86-852-30606658	market18@leapchem.com	China	43348	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	16801	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15957	58
Fluoropharm Co., Ltd.	+86-0571-85586753; +8613336034509	sales@fluoropharm.com	China	1377	60
Xi'an Kono chem co., Ltd.,	029-86107037 13289246953	info@konochemical.com	China	2995	58
Hubei xin bonus chemical co. LTD	86-13657291602	linda@hubeijusheng.com	CHINA	22968	58
Wuhan Chemwish Technology Co., Ltd	027-67849912	sales@chemwish.com	CHINA	10828	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49391	58
career henan chemical co	+86-0371-86658258 15093356674;	factory@coreychem.com	China	29826	58

Supplier	Advantage
LEAPCHEM CO., LTD.	58
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
Fluoropharm Co., Ltd.	60
Xi'an Kono chem co., Ltd.,	58
Hubei xin bonus chemical co. LTD	58
Wuhan Chemwish Technology Co., Ltd	58
CONIER CHEM AND PHARMA LIMITED	58
career henan chemical co	58

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

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
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
2021-07-20	1,3,5-Tris(trifluoromethyl)benzene 729-81-7	US $0.00-0.00 / KG	10mg	99%	2000tons	Shaanxi Dideu Medichem Co. Ltd
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
729-81-7
US $100.00-1.00 / KG
99%
Henan Fengda Chemical Co., Ltd

1,3,5-Tris(trifluoromethyl)benzene
729-81-7
US $0.00-0.00 / KG
99%
Shaanxi Dideu Medichem Co. Ltd

1,3,5-tris(trifluoromethyl)benzene
729-81-7
US $15.00-10.00 / KG
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

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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