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ChemicalBook--->CAS DataBase List--->57775-08-3

57775-08-3

57775-08-3 Structure

57775-08-3 Structure
IdentificationMore
[Name]

3-(4-BROMOPHENYL)PROPIONITRILE
[CAS]

57775-08-3
[Synonyms]

3-(4-BROMOPHENYL)PROPIONITRILE
3-(4-Bromophenyl)propionitrile 98%
3-(4-Bromophenyl)propanenitrile
[Molecular Formula]

C9H8BrN
[MDL Number]

MFCD01310795
[Molecular Weight]

210.07
[MOL File]

57775-08-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

118°C 1mm
[density ]

1,42 g/cm3
[storage temp. ]

Sealed in dry,Room Temperature
[Specific Gravity]

1.42
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

57775-08-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-BROMOPHENYL)PROPIONITRILE(57775-08-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Diethyl cyanomethylphosphonate

2537-48-6

4-Bromobenzaldehyde

1122-91-4

3-(4-BROMOPHENYL)PROPIONITRILE

57775-08-3

General procedure for the synthesis of 3-(4-bromophenyl)propanenitrile from diethyl cyanomethylphosphonate and p-bromobenzaldehyde: (2) Prop-2-enenenitrile E/Z mixture of 3-(4-bromophenyl)pyridine (34.8 g, 0.63 L) was dissolved in methanol (0.21 L), and sodium borohydride (8.2 g) was slowly added at 0 °C under nitrogen protection. The reaction mixture was stirred at 100 °C for 1 hour. After completion of the reaction, the reaction solution was concentrated, water was added and the mixture was extracted with ethyl acetate. The organic layer was washed sequentially with water and saturated saline, dried over anhydrous magnesium sulfate, filtered and the solvent was concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography (eluent ratio: hexane:ethyl acetate=100:0→65:35) to give the yellow oily product 3-(4-bromophenyl)propionitrile (28.1 g).

[References]

[1] Patent: JP2015/231988, 2015, A. Location in patent: Paragraph 0328; 0329
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57775-08-3 4592-94-3

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