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Home > Encyclopedia > 3-CHLOROPHENETHYL ISOCYANATE97

3-CHLOROPHENETHYL ISOCYANATE97

3-CHLOROPHENETHYL ISOCYANATE97 structure

3-CHLOROPHENETHYL ISOCYANATE97 

structure
  • CAS No:

    62334-11-6

  • Formula:

    C9H8ClNO

  • Chemical Name:

    3-CHLOROPHENETHYL ISOCYANATE97

  • Synonyms:

    3-Chlorophenethyl isocyanate;1-chloro-3-(2-isocyanatoethyl)benzene;Benzene, 1-chloro-3-(2-isocyanatoethyl)-;ACMC-20an5z;SCHEMBL1851734;CTK2C2108;DTXSID80562792;ZINC11802390;3-CHLOROPHENETHYL ISOCYANATE, 97%

3-CHLOROPHENETHYL ISOCYANATE97 Basic Attributes

181.621

181.02900

DTXSID80562792

2929109000

Characteristics

29.43000

2.21830

1.2400 g/mL at 25ºC(lit.)

263.5ºC at 760 mmHg

>230 °F

n20/D 1.539(lit.)

Safety Information

UN 2206 6.1/PG 3

3

20/21/22-36/37/38-42

26-36/37

Xn

P261-P280-P305 + P351 + P338-P342 + P311

H302-H312-H315-H319-H332-H334-H335

Computed Properties

Molecular Weight:181.62
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:181.0294416
Monoisotopic Mass:181.0294416
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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