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Home > Encyclopedia > 1-Chloro-2-isocyanato-4-methylbenzene

1-Chloro-2-isocyanato-4-methylbenzene

1-Chloro-2-isocyanato-4-methylbenzene structure

1-Chloro-2-isocyanato-4-methylbenzene 

structure
  • CAS No:

    40398-03-6

  • Formula:

    C8H6ClNO

  • Chemical Name:

    1-Chloro-2-isocyanato-4-methylbenzene

  • Synonyms:

    Benzene,1-chloro-2-isocyanato-4-methyl-;1-Chloro-2-isocyanato-4-methylbenzene;2-Chloro-5-methylphenyl isocyanate;2-Chloro-1-isocyanato-5-methylbenzene

1-Chloro-2-isocyanato-4-methylbenzene Basic Attributes

167.592

167.59

DTXSID00394350

2929109000

Characteristics

29.43000

3.58

1.2±0.1 g/cm3

39-42ºC(lit.)

231.5±20.0 °C at 760 mmHg

83.6±11.0 °C

1.544

Safety Information

UN 2206 6.1/PG 3

3

20/21/22-36/37/38

22-26-36

Xn

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

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

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.59
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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