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Home > Encyclopedia > 3-Chloro-4-methoxyphenyl isocyanate

3-Chloro-4-methoxyphenyl isocyanate

3-Chloro-4-methoxyphenyl isocyanate structure

3-Chloro-4-methoxyphenyl isocyanate 

structure
  • CAS No:

    28395-76-8

  • Formula:

    C8H6ClNO2

  • Chemical Name:

    3-Chloro-4-methoxyphenyl isocyanate

  • Synonyms:

    Benzene,2-chloro-4-isocyanato-1-methoxy-;Isocyanic acid,3-chloro-4-methoxyphenyl ester;2-Chloro-4-isocyanato-1-methoxybenzene;3-Chloro-4-methoxyphenyl isocyanate

3-Chloro-4-methoxyphenyl isocyanate Basic Attributes

183.59

183.59

249-005-1

DTXSID70182620

2929109000

Characteristics

38.7

2.31590

1.22g/cm3

30-33 °C(lit.)

271.7ºC at 760mmHg

230 °F

1.534

0.00633mmHg at 25°C

Safety Information

IRRITANT

UN 2206 6.1/PG 3

3

20/21/22-36/37/38

22-26-36

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:183.59
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:183.0087061
Monoisotopic Mass:183.0087061
Topological Polar Surface Area:38.7
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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