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3,5-Bis(trifluoromethyl)benzonitrile

3,5-Bis(trifluoromethyl)benzonitrile structure

CAS No.: 27126-93-8

Chemical Name:: 3,5-Bis(trifluoromethyl)benzonitrile

Synonyms: MBT-CN;SELI-001;TRIFLUOROMETHYL BENZONITRILE;3,5-Di(trifluoromethyl)benzonitrile;BIS(3,5-TRIFLUOROMETHYL)BENZONITRILE;3,5-BIS(TRIFLUOROMETHYL)BENZONITRILE;3,5-Bis(trifluoromethly)benzonitrile;Benzonitrile, 3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzonitrile97%;3,5-Bis(trifluoromethyl)benzonitrile 97%

CBNumber:: CB8170288

Molecular Formula:: C9H3F6N

Molecular Weight:: 239.12

MDL Number:: MFCD00000379

MOL File:: 27126-93-8.mol

MSDS File:: SDS

Last updated:2025-07-24 18:13:47

Product description	Number	Pack Size	Price
3,5-Bis(trifluoromethyl)benzonitrile >98.0%(GC)	B1896	5g	$75
3,5-Bis(trifluoromethyl)benzonitrile >98.0%(GC)	B1896	25g	$239
3,5-Bis(trifluoromethyl)benzonitrile	T790648	2.5g	$65
3,5-Bis(trifluoromethyl)benzonitrile	L440	5g	$21
3,5-Bis(trifluoromethyl)benzonitrile 97%	005871	100g	$92
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3,5-Bis(trifluoromethyl)benzonitrile Properties

Melting point	16°C
Boiling point	155 °C
Density	1.42 g/mL at 25 °C(lit.)
refractive index	n20/D 1.4175(lit.)
Flash point	163 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
form	powder to lump to clear liquid
color	White or Colorless to Almost white or Almost colorless
Specific Gravity	1.420
FreezingPoint	19.0 to 23.0 ℃
BRN	3552650
InChI	InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChIKey	CZKHHAOIHXHOSR-UHFFFAOYSA-N
SMILES	C(#N)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference	27126-93-8(CAS DataBase Reference)
FDA UNII	7B2P78CB3E
NIST Chemistry Reference	Benzonitrile, 3,5-bis(trifluoromethyl)-(27126-93-8)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H302+H312+H332-H315-H319-H227-H302-H312-H332-H335

Precautionary statements

P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P210e-P305+P351+P338-P405-P501a

Hazard Codes

Xn,T,Xi

Risk Statements

20/21/22-36/37/38

Safety Statements

23-26-28-37/39-36/37/39-36/37-36

RIDADR

3276

WGK Germany

Hazard Note

Toxic

HazardClass

6.1

PackingGroup

III

HS Code

29269090

NFPA 704

	2
2		0

3,5-Bis(trifluoromethyl)benzonitrile price More Price(34)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
TCI Chemical	B1896	3,5-Bis(trifluoromethyl)benzonitrile >98.0%(GC)	27126-93-8	5g	$75	2025-07-31	Buy
TCI Chemical	B1896	3,5-Bis(trifluoromethyl)benzonitrile >98.0%(GC)	27126-93-8	25g	$239	2025-07-31	Buy
TRC	T790648	3,5-Bis(trifluoromethyl)benzonitrile	27126-93-8	2.5g	$65	2021-12-16	Buy
AK Scientific	L440	3,5-Bis(trifluoromethyl)benzonitrile	27126-93-8	5g	$21	2021-12-16	Buy
Matrix Scientific	005871	3,5-Bis(trifluoromethyl)benzonitrile 97%	27126-93-8	100g	$92	2021-12-16	Buy

Product number	Packaging	Price	Buy
B1896	5g	$75	Buy
B1896	25g	$239	Buy
T790648	2.5g	$65	Buy
L440	5g	$21	Buy
005871	100g	$92	Buy

3,5-Bis(trifluoromethyl)benzonitrile Chemical Properties,Uses,Production

Chemical Properties

colorless to light yellow liquid

Uses

3,5-Bis(trifluoromethyl)benzonitrile is a pharmaceutical intermediate compound used in the preparation of Selinexor, a selective nuclear output inhibitor approved for the treatment of relapsed or refractory diffuse large B-cell lymphoma (DLBCL) and multiple myeloma.

Synthesis

22227-26-5

27126-93-8

To a 2L three-necked flask was added 300 g (1.17 mol) of 3,5-bis(trifluoromethyl)benzamide, 183.6 g (0.7 mol) of triphenylphosphine, 107.7 g (0.7 mol) of carbon tetrachloride and 400 ml of tetrahydrofuran. The reaction mixture was heated to 60°C under stirring and maintained for 180 minutes. Upon completion of the reaction, 6 g (0.04 mol) of phosphorus pentoxide was added, followed by a distillation device in a flask and distillation at atmospheric pressure to collect the 155°C fraction, yielding 237.1 g of product. Gas chromatographic analysis showed the fraction to be 3,5-bis(trifluoromethyl)benzonitrile in a yield of 0.99 mol with a target yield of 99.8% (yield: 85%). Examples 17-31 Various (fluoroalkyl)benzene derivatives were prepared according to the same method as in Examples 2-16. In order to improve the purity of the product, Example 17 underwent two crystallization operations and the final distillation step was repeated in the remaining Examples. （The purity, residual halogen content and residual metal content of the (fluoroalkyl)benzene derivatives are summarized in Table 2.

References

[1] Patent: EP1500641, 2005, A1. Location in patent: Page 11
[2] Synthesis (Germany), 2015, vol. 47, # 23, p. 3758 - 3766

3,5-Bis(trifluoromethyl)benzonitrile Preparation Products And Raw materials

Raw materials

3,5-Di(trifluoromethyl)benzamide Benzaldehyde, 3,5-bis(trifluoromethyl)-, oxime Tetrahydrofuran Phosphorus pentoxide Carbon tetrachloride

Preparation Products

Verdinexor (KPT-335) Selinexor

3,5-Bis(trifluoromethyl)benzonitrile Suppliers

Global( 319)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Hebei Chuanghai Biotechnology Co., Ltd	+8615350571055	Sibel@chuanghaibio.com	China	8753	58
Jinan Million Pharmaceutical Co., Ltd	0531-68659554 +8613031714605	info@millionpharm.com	China	214	58
Hebei Zhuanglai Chemical Trading Co Ltd	+86-16264648883	niki@zlchemi.com	China	7245	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718; +8613336195806	sales@capot.com	China	29735	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21597	55
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	33024	60
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29831	58
Changzhou Ansciep Chemical Co., Ltd.	+86 519 86305871	sales@ansciepchem.com	CHINA	4241	58
Shenzhen Nexconn Pharmatechs Ltd	+86-755-89396905 +86-15013857715	admin@nexconn.com	China	10405	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58

Supplier	Advantage
Hebei Chuanghai Biotechnology Co., Ltd	58
Jinan Million Pharmaceutical Co., Ltd	58
Hebei Zhuanglai Chemical Trading Co Ltd	58
Capot Chemical Co.,Ltd.	60
Henan Tianfu Chemical Co.,Ltd.	55
ATK CHEMICAL COMPANY LIMITED	60
career henan chemical co	58
Changzhou Ansciep Chemical Co., Ltd.	58
Shenzhen Nexconn Pharmatechs Ltd	58
Alchem Pharmtech,Inc.	58

View Lastest Price from 3,5-Bis(trifluoromethyl)benzonitrile manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-02-15	3,5-Bis(trifluoromethyl)benzonitrile 27126-93-8	US $1.00-0.50 / kg	1kg	99%	200	Jinan Million Pharmaceutical Co., Ltd
2026-01-30	3,5-Bis(trifluoromethyl)benzonitrile 27126-93-8	US $10.00 / KG	1KG	99%	10 mt	Hebei Chuanghai Biotechnology Co., Ltd
2025-05-23	3,5-bis(trifluoromethyl)benzonitrile 27126-93-8	US $50.00 / kg	1kg	99	5000	Hebei Zhuanglai Chemical Trading Co Ltd

3,5-Bis(trifluoromethyl)benzonitrile
27126-93-8
US $1.00-0.50 / kg
99%
Jinan Million Pharmaceutical Co., Ltd

3,5-Bis(trifluoromethyl)benzonitrile
27126-93-8
US $10.00 / KG
99%
Hebei Chuanghai Biotechnology Co., Ltd

3,5-bis(trifluoromethyl)benzonitrile
27126-93-8
US $50.00 / kg
99
Hebei Zhuanglai Chemical Trading Co Ltd

3,5-Bis(trifluoromethyl)benzonitrile Spectrum

3,5-Bis(trifluoromethyl)benzonitrile(27126-93-8)MS 3,5-Bis(trifluoromethyl)benzonitrile(27126-93-8)¹HNMR 3,5-Bis(trifluoromethyl)benzonitrile(27126-93-8)¹³CNMR 3,5-Bis(trifluoromethyl)benzonitrile(27126-93-8)IR1

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