3,5-Bis(trifluoromethyl)benzonitrile
- Product Name
- 3,5-Bis(trifluoromethyl)benzonitrile
- 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
- Formula Weight
- 239.12
- MOL File
- 27126-93-8.mol
3,5-Bis(trifluoromethyl)benzonitrile Property
- 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)
- NIST Chemistry Reference
- Benzonitrile, 3,5-bis(trifluoromethyl)-(27126-93-8)
Safety
- 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
- 3
- Hazard Note
- Toxic
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29269090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B1896
- Product name
- 3,5-Bis(trifluoromethyl)benzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $75
- Updated
- 2025/07/31
- Product number
- B1896
- Product name
- 3,5-Bis(trifluoromethyl)benzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $239
- Updated
- 2025/07/31
- Product number
- T790648
- Product name
- 3,5-Bis(trifluoromethyl)benzonitrile
- Packaging
- 2.5g
- Price
- $65
- Updated
- 2021/12/16
- Product number
- L440
- Product name
- 3,5-Bis(trifluoromethyl)benzonitrile
- Packaging
- 5g
- Price
- $21
- Updated
- 2021/12/16
- Product number
- J53850
- Product name
- 3,5-Bis(trifluoromethyl)benzonitrile
- Packaging
- 25g
- Price
- $26
- Updated
- 2021/12/16
3,5-Bis(trifluoromethyl)benzonitrile Chemical Properties,Usage,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
Preparation Products
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View Lastest Price from 3,5-Bis(trifluoromethyl)benzonitrile manufacturers
- Product
- 3,5-Bis(trifluoromethyl)benzonitrile 27126-93-8
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2025-03-10
- Product
- 3,5-Bis(trifluoromethyl)benzonitrile 27126-93-8
- Price
- US $1.00-0.50/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 200
- Release date
- 2024-03-11
- Product
- 3,5-bis(trifluoromethyl)benzonitrile 27126-93-8
- Price
- US $50.00/kg
- Min. Order
- 1kg
- Purity
- 99
- Supply Ability
- 5000
- Release date
- 2024-11-21