4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE
- Product Name
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE
- CAS No.
- 191165-13-6
- Chemical Name
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE
- Synonyms
- 5-Bromo-2-cyanobenzotrifluoride;3-Bromo-6-cyanobenzotrifluoride;4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE;Benzonitrile, 4-broMo-2-(trifluoroMethyl)-;4-Bromo-2-(trifluoromethyl)benzonitrile ,98%;5-Bromo-2-cyanobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-o-tolunitrile
- CBNumber
- CB1678583
- Molecular Formula
- C8H3BrF3N
- Formula Weight
- 250.02
- MOL File
- 191165-13-6.mol
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE Property
- Melting point:
- 43-44℃
- Boiling point:
- 240℃
- Density
- 1.71
- Flash point:
- 99℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform; Dichloromethane; Ethyl Acetate
- form
- Solid
- color
- White
- InChI
- InChI=1S/C8H3BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
- InChIKey
- XZZVLHLYHDELAI-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(Br)C=C1C(F)(F)F
- CAS DataBase Reference
- 191165-13-6(CAS DataBase Reference)
Safety
- HS Code
- 2926907090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye 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.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B5828
- Product name
- 4-Bromo-2-(trifluoromethyl)benzonitrile
- Purity
- min. 98.0 %
- Packaging
- 5G
- Price
- $87
- Updated
- 2025/07/31
- Product number
- B5828
- Product name
- 4-Bromo-2-(trifluoromethyl)benzonitrile
- Purity
- min. 98.0 %
- Packaging
- 25G
- Price
- $345
- Updated
- 2025/07/31
- Product number
- B695508
- Product name
- 4-Bromo-2-(trifluoromethyl)benzonitrile
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- PC6013
- Product name
- 4-Bromo-2-(trifluoromethyl)benzonitrile
- Purity
- 98%
- Packaging
- 5g
- Price
- $63
- Updated
- 2021/12/16
- Product number
- FB34005
- Product name
- 4-Bromo-2-(trifluoromethyl)benzonitrile
- Packaging
- 5G
- Price
- $63
- Updated
- 2021/12/16
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE Chemical Properties,Usage,Production
Chemical Properties
Off-white crystalline
Uses
4-Bromo-2-(trifluoromethyl)benzonitrile is an intermediate for the synthesis of 4-Bromo-2-(trifluoromethyl)phenylacetic Acid (B688526), which is a useful intermediate for organic synthesis and other chemical processes.
Synthesis
654-70-6
191165-13-6
The general procedure for the synthesis of 4-bromo-2-trifluoromethylbenzonitrile using 4-amino-2-trifluoromethylbenzonitrile as starting material was as follows: 4-amino-2-trifluoromethylbenzonitrile (1.02 g, 5.48 mmol) was dissolved in acetonitrile (30 mL) at 0 °C, and tert-butyl nitrite (0.95 mL, 7.19 mmol) was slowly added dropwise. The reaction mixture was stirred continuously at 0°C for 0.5 h. After that, copper (II) bromide (1.39 g, 6.22 mmol) was added, followed by slow warming of the reaction system to room temperature. The mixture was continued to be stirred at room temperature for 14 h. After completion of the reaction, the mixture was poured into brine and extracted with ethyl acetate (EtOAc). The organic layer was dried over anhydrous magnesium sulfate (MgSO4) and the solvent was removed by concentration under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate) to afford the target product 4-bromo-2-trifluoromethylbenzonitrile (1.13 g, 82% yield) as a yellow oil. The structure of the product was confirmed by 1H NMR (200 MHz, CDCl3), δ: 7.60-8.10 (3H, m).
References
[1] Patent: US2004/6134, 2004, A1
[2] Chemical and Pharmaceutical Bulletin, 2005, vol. 53, # 4, p. 402 - 409
[3] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 1, p. 422 - 434
[4] Organic Letters, 2017, vol. 19, # 10, p. 2518 - 2521
[5] Medicinal Chemistry Research, 2016, vol. 25, # 4, p. 539 - 552
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE Suppliers
- Tel
- 320-37350700
- Fax
- +32 (0)37350701
- sales@tcieurope.eu
- Country
- Europe
- ProdList
- 23671
- Advantage
- 75
View Lastest Price from 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE manufacturers
- Product
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE 191165-13-6
- Price
- US $35.00-25.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20 Ton
- Release date
- 2023-11-02
- Product
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE 191165-13-6
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10
- Product
- 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE 191165-13-6
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09