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Home > Encyclopedia > 5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE

5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE

5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE structure

5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE 

structure
  • CAS No:

    40046-27-3

  • Formula:

    C9H8ClNO2S

  • Chemical Name:

    5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE

  • Synonyms:

    5-Chloro-2,4-dimethoxyphenyl isothiocyanate;1-Chloro-5-isothiocyanato-2,4-dimethoxybenzene;Benzene,1-chloro-5-isothiocyanato-2,4-dimethoxy-;SCHEMBL6157225;CTK4I2330;DTXSID60193109;ZINC2169693;2541AE;BBL010005;STK711112

5-CHLORO-2,4-DIMETHOXYPHENYLISOTHIOCYANATE Basic Attributes

229.68300

228.99600

DTXSID60193109

2930909090

Characteristics

62.91000

3.09150

1.25g/cm3

92-94ºC

369.9ºC at 760 mmHg

177.5ºC

1.556

Safety Information

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

H315

Computed Properties

Molecular Weight:229.68
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:228.9964274
Monoisotopic Mass:228.9964274
Topological Polar Surface Area:62.9
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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