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Home > Encyclopedia > 3-(4-BROMOPHENYL)PROPIONITRILE

3-(4-BROMOPHENYL)PROPIONITRILE

3-(4-BROMOPHENYL)PROPIONITRILE structure

3-(4-BROMOPHENYL)PROPIONITRILE 

structure
  • CAS No:

    57775-08-3

  • Formula:

    C9H8BrN

  • Chemical Name:

    3-(4-BROMOPHENYL)PROPIONITRILE

  • Synonyms:

    3-(4-BROMOPHENYL)PROPIONITRILE;3-(4-Bromophenyl)propionitrile 98%;3-(4-Bromophenyl)propanenitrile;3-(4-Bromophenyl)propanenitrile 98%;Benzenepropanenitrile, 4-broMo-;3-(4-Bromophenyl)propionitrile, 2-(4-Bromophenyl)ethyl cyanide;3-(4-Bromophenyl)propanenitrile98%

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-(4-BROMOPHENYL)PROPIONITRILE Basic Attributes

210.07

208.984009

DTXSID60370832

2926909090

Characteristics

23.8

2.6

1.4±0.1 g/cm3

118°C1mm

151.5±20.9 °C

1.561

Safety Information

IRRITANT, IRRITANT-HARMFUL

3276

20/21/22-36/37/38-52

26-36/37/39

Xi

Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(4-BROMOPHENYL)PROPIONITRILE Use and Manufacturing

(2) 3- (4-bromo-phenyl) pyridine of prop-2-ene nitrile E / Z mixture (34.8g) (0.63L) - in methanol (0.21L) solution, sodium borohydride at 0 ( 8.2g) was added, under a nitrogen gas atmosphere, the mixture was stirred for 1 hour at 100 . The reaction solution was concentrated, water was added, and the mixture was extracted with ethyl acetate. The organic layer was washed with water and saturated brine, dried over anhydrous magnesium sulfate, and after filtration, the solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (hexane: ethyl acetate = 100: 0 → 65: 35), to thereby obtain 3- (4-bromophenyl) propanenitrile (28.1 g) as a yellow oil .

Computed Properties

Molecular Weight:210.07
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:208.98401
Monoisotopic Mass:208.98401
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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