Basic information Safety Supplier Related

4-BROMO-2-FLUOROBENZYL CYANIDE

Basic information Safety Supplier Related

4-BROMO-2-FLUOROBENZYL CYANIDE Basic information

Product Name:
4-BROMO-2-FLUOROBENZYL CYANIDE
Synonyms:
  • 4-BroMo-2-fluorobenzyl cyanide, 98+% 5GR
  • Fluoro-4-bromophenyl acetonitrile
  • 4-bromo-2-fluorobenzeneacetonitrile
  • 4-BROMO-2-FLUOROBENZYL CYANIDE
  • 4-BroMo-2-fluorobenzyl cyanide, 98+% 25GR
  • 4-Bromo-2-fluorobenzyl cyanide, 98+%
  • 2-Fluoro-4-bromobenzeneacetonitrile
  • 4-bromo-2-fluorophenylacetonitrile
CAS:
114897-91-5
MF:
C8H5BrFN
MW:
214.03
Mol File:
114897-91-5.mol
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4-BROMO-2-FLUOROBENZYL CYANIDE Chemical Properties

Melting point:
52.8-53 °C
Boiling point:
281℃
Density 
1.573
Flash point:
124℃
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
form 
Crystalline Powder
color 
White to beige
CAS DataBase Reference
114897-91-5
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Safety Information

Hazard Codes 
Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
36/37/39-26
RIDADR 
3439
HazardClass 
6.1
HS Code 
29269090

MSDS

  • Language:English Provider:ACROS
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4-BROMO-2-FLUOROBENZYL CYANIDE Usage And Synthesis

Chemical Properties

White to beige crystalline powder

Synthesis

773837-37-9

76283-09-5

114897-91-5

The reaction was carried out with 4-bromo-2-fluorobenzyl bromide (26.8 g, 100 mmol) and sodium cyanide (5.4 g, 110 mmol) in a solvent mixture of ethanol (40 ml) and water (10 ml) with stirring at 100 °C for 8.5 hours. After completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure. The reaction mixture was extracted with ethyl acetate and the organic layer was washed with saturated sodium chloride solution and dried with anhydrous sodium sulfate. After drying, the desiccant was removed by filtration and the filtrate was concentrated under reduced pressure to afford the target product 4-bromo-2-fluoro-benzyl cyanide (22.6 g, quantitative yield) as a black oil. The structure of the product was confirmed by 1H-NMR (400 MHz, CDCl3): δ 3.73 (2H, s), 7.27-7.38 (3H, m).

References

[1] Patent: EP2700643, 2014, A1. Location in patent: Paragraph 0188
[2] Patent: WO2004/74270, 2004, A2. Location in patent: Page 111-112
[3] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 54; 44; 56; 57
[4] Patent: WO2016/38519, 2016, A1. Location in patent: Page/Page column 36
[5] Patent: WO2016/38552, 2016, A1. Location in patent: Page/Page column 50

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