ChemicalBook > CAS DataBase List > 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE

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

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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)

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Safety

HS Code: 2926907090

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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..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: B5828
Product name: 4-Bromo-2-(trifluoromethyl)benzonitrile
Purity: min. 98.0 %
Packaging: 5G
Price: $87
Updated: 2025/07/31

TCI Chemical

Product number: B5828
Product name: 4-Bromo-2-(trifluoromethyl)benzonitrile
Purity: min. 98.0 %
Packaging: 25G
Price: $345
Updated: 2025/07/31

TRC

Product number: B695508
Product name: 4-Bromo-2-(trifluoromethyl)benzonitrile
Packaging: 250mg
Price: $55
Updated: 2021/12/16

Apolloscientific

Product number: PC6013
Product name: 4-Bromo-2-(trifluoromethyl)benzonitrile
Purity: 98%
Packaging: 1g
Price: $42
Updated: 2021/12/16

Apolloscientific

Product number: PC6013
Product name: 4-Bromo-2-(trifluoromethyl)benzonitrile
Purity: 98%
Packaging: 5g
Price: $63
Updated: 2021/12/16

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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

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4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE Suppliers

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View Lastest Price from 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE manufacturers

Hebei Xinsheng New Material Technology Co., LTD.

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

Zhuozhou Wenxi import and Export Co., Ltd

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

Zhuozhou Wenxi import and Export Co., Ltd

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

191165-13-6, 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILERelated Search:

2-bromo-4-methylpropiophenone Benzyl bromide 2-(Trifluoromethyl)benzonitrile 2-Amino-5-bromo-3-(trifluoromethyl)benzonitrile 2-BROMO-4-(TRIFLUOROMETHYL)BENZONITRILE 2-Bromo-3-(trifluoromethyl)benzonitrile 4-BROMO-3-(TRIFLUOROMETHYL)BENZONITRILE 2-Bromo-5-(trifluoromethyl)benzonitrile 2-BROMO-6-(TRIFLUOROMETHYL)BENZONITRILE 3-Bromo-5-(trifluoromethyl)benzonitrile 3-Bromo-5-(trifluoromethyl)benzonitrile 98% 4-Bromo-2-methylbenzonitrile 2-METHYL-5-(TRIFLUOROMETHYL)BROMOBENZENE 4-Bromobenzonitrile 4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE

4-BROMO-2-(TRIFLUOROMETHYL)BENZONITRILE

3-Bromo-6-cyanobenzotrifluoride

5-Bromo-2-cyanobenzotrifluoride

4-Bromo-2-(trifluoromethyl)benzonitrile ,98%

Benzonitrile, 4-broMo-2-(trifluoroMethyl)-

5-Bromo-2-cyanobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-o-tolunitrile

191165-13-6

Phenyls & Phenyl-Het

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