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Home > Encyclopedia > 4-Bromo-2-cyanobenzaldehyde

4-Bromo-2-cyanobenzaldehyde

4-Bromo-2-cyanobenzaldehyde structure

4-Bromo-2-cyanobenzaldehyde 

structure
  • CAS No:

    523977-64-2

  • Formula:

    C8H4BrNO

  • Chemical Name:

    4-Bromo-2-cyanobenzaldehyde

  • Synonyms:

    4-BROMO-2-CYANOBENZALDEHYDE;5-bromo-2-formylbenzonitrile;Benzonitrile, 5-bromo-2-formyl-;SCHEMBL898053;CTK1G7871;KS-00000ONE;DTXSID80695473;7389AB;ANW-68789;MFCD09261030

  • Categories:

    Chemical Reagents  >  Organic Reagents

4-Bromo-2-cyanobenzaldehyde Basic Attributes

210.04

208.947617

DTXSID80695473

2926909090

Characteristics

40.9

1.8

1.7±0.1 g/cm3

324℃

150℃

1.612

Safety Information

22-43

Xn

4-Bromo-2-cyanobenzaldehyde Use and Manufacturing

To a stirred solution of trimethylamine N-oxide dihydrate (16.98 g, 152.8 mmol) in DM50 (60 mE) was added a solution of 5-bromo-2-(bromomethyl)benzonitrile (From step 1, 10.5 g, 38.19 mmol) in DCM (30 mE) slowly at 5° C. The resulting mixture was warmed up to 22° C. and stirred for further 6 h. The reaction was diluted with DCM (70 mE), washed with brine (20 mEx3), dried over anhydrous Na2SO4, filtered and concentrated in vacuo. The residue was purified by column chromatography on silica gel (0-16percent EtOAc in petroleum ether) to afford the title compound (4.2 g, yield 52percent) as a white solid. ‘H NMR (400 MHz, CDC13) ö 10.31 (s, 1H), 7.98 (s, 1H), 7.92 (s, 2H).

Computed Properties

Molecular Weight:210.03
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:208.94763
Monoisotopic Mass:208.94763
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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