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2-CYANOPHENYL ISOCYANATE

2-CYANOPHENYL ISOCYANATE structure

2-CYANOPHENYL ISOCYANATE 

structure
  • CAS No:

    42066-86-4

  • Formula:

    C8H4N2O

  • Chemical Name:

    2-CYANOPHENYL ISOCYANATE

  • Synonyms:

    2-CYANOPHENYL ISOCYANATE;2-ISOCYANATOBENZONITRILE;2-ISOBUTYLTHIAZOLE;o-Cyanophenyl isocyanate

  • Categories:

    Chemical Reagents  >  Organic Reagents

2-CYANOPHENYL ISOCYANATE Basic Attributes

144.13

144.03200

DTXSID60370993

2929109000

Characteristics

53.2

1.52558

1.09 g/cm3

61 °C

266.2ºC at 760 mmHg

114.8ºC

1.562

Safety Information

R20/21/22;R36/37/38

S26-S36/37/39

Xi

Irritant

Computed Properties

Molecular Weight:144.13
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:144.032362755
Monoisotopic Mass:144.032362755
Topological Polar Surface Area:53.2
Heavy Atom Count:11
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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