ChemicalBook--->CAS DataBase List--->114897-91-5

114897-91-5

114897-91-5 Structure

114897-91-5 Structure
IdentificationBack Directory
[Name]

4-BROMO-2-FLUOROBENZYL CYANIDE
[CAS]

114897-91-5
[Synonyms]

4-BROMO-2-FLUOROBENZYL CYANIDE
Fluoro-4-bromophenyl acetonitrile
4-bromo-2-fluorophenylacetonitrile
4-bromo-2-fluorobenzeneacetonitrile
2-Fluoro-4-bromobenzeneacetonitrile
4-Bromo-2-fluorobenzyl cyanide, 98+%
2-(4-broMo-2-fluorophenyl)acetonitrile
4-BroMo-2-fluorobenzyl cyanide, 98+% 5GR
4-BroMo-2-fluorobenzyl cyanide, 98+% 25GR
[Molecular Formula]

C8H5BrFN
[MDL Number]

MFCD07368653
[MOL File]

114897-91-5.mol
[Molecular Weight]

214.03
Chemical PropertiesBack Directory
[Appearance]

White to beige crystalline powder
[Melting point ]

52.8-53 °C
[Boiling point ]

281℃
[density ]

1.573
[Fp ]

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
Hazard InformationBack Directory
[Chemical Properties]

White to beige crystalline powder
[Synthesis]

sodium:cyanide

773837-37-9

4-Bromo-2-fluorobenzyl bromide

76283-09-5

4-BROMO-2-FLUOROBENZYL CYANIDE

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
Safety DataBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-2-FLUOROBENZYL CYANIDE(114897-91-5)1HNMR
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