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Home > Encyclopedia > 3-Chloro-4-nitrobenzonitrile

3-Chloro-4-nitrobenzonitrile

3-Chloro-4-nitrobenzonitrile structure

3-Chloro-4-nitrobenzonitrile 

structure
  • CAS No:

    34662-29-8

  • Formula:

    C7H3ClN2O2

  • Chemical Name:

    3-Chloro-4-nitrobenzonitrile

  • Synonyms:

    Benzonitrile,3-chloro-4-nitro-;3-Chloro-4-nitrobenzonitrile;4-Nitro-3-chlorobenzonitrile;2-Chloro-4-cyano-1-nitrobenzene

3-Chloro-4-nitrobenzonitrile Basic Attributes

182.56392

182.56

DTXSID80566311

2926909090

Characteristics

69.6

2.2

1.47±0.1 g/cm3(Predicted)

3-Chloro-4-nitrobenzonitrile Use and Manufacturing

A suspension of sodium borate tetrahydrate (32.5 g, 211.2 mmol) in 195 ml of acetic acid was heated until the temperature of the reaction mixture was above 50° C. The reaction temperature was kept this way while 2-chloro-4-cyanoaniline (5.93 g, 38.9 mmol) was added in portions over 1 h. Stirring and heating were continued for 2 hours on an oil bath of 62° C. After cooling to room temperature the reaction mixture was poured into 1 L icewater. The aqueous layer was extracted with Et

Computed Properties

Molecular Weight:182.56
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:181.9883050
Monoisotopic Mass:181.9883050
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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