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2-CHLORO-3-CYANOBENZALDEHYDE

2-CHLORO-3-CYANOBENZALDEHYDE structure

2-CHLORO-3-CYANOBENZALDEHYDE 

structure
  • CAS No:

    165187-24-6

  • Formula:

    C8H4ClNO

  • Chemical Name:

    2-CHLORO-3-CYANOBENZALDEHYDE

  • Synonyms:

    2-CHLORO-3-CYANOBENZALDEHYDE;2-chloro-3-formylbenzonitrile;2-chloro-3-cyanobenzaldehde

2-CHLORO-3-CYANOBENZALDEHYDE Basic Attributes

165.58

164.998138

DTXSID10474819

2926909090

Characteristics

40.9

1.7

1.32±0.1 g/cm3(Predicted)

250.9±20.0 °C(Predicted)

105.5±21.8 °C

1.573

0.021mmHg at 25°C

Safety Information

43

36/37

2-CHLORO-3-CYANOBENZALDEHYDE Use and Manufacturing

To a solution of EXAMPLE III 2-Chloro-3-cyano-benzaldehyde STR13 The crude product of the compound from Example II is dissolved in 1.5 l of 95% ethanol and warmed to 60 C. A solution of 186 g (1.1 mol) of silver nitrate in 380 ml of water which has been mixed with 750 ml of ethanol is rapidly added dropwise thereto at this temperature. After addition is complete, the mixture is subsequently stirred for one hour and then mixed with 50 ml of saturated sodium chloride solution. After cooling, the silver salts are filtered off and the filtrate is concentrated. The residue is taken up in methylene chloride and purified by filtration through a short silica gel column (eluent: dichloromethane). After concentrating the product fractions, 88 g (81%) of the title compound are obtained. m.p.: 86-89 C. 1 H-NMR (CHCl3): delta=7.55 ppm (t, 1H); 7.95 (dd, 1H); 8.20 (dd, 1H); 10.5 (s, 1H).

Computed Properties

Molecular Weight:165.57
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.9981414
Monoisotopic Mass:164.9981414
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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