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Home > Encyclopedia > 4-CHLOROBENZYLISOCYANATE97

4-CHLOROBENZYLISOCYANATE97

4-CHLOROBENZYLISOCYANATE97 structure

4-CHLOROBENZYLISOCYANATE97 

structure
  • CAS No:

    30280-44-5

  • Formula:

    C8H6ClNO

  • Chemical Name:

    4-CHLOROBENZYLISOCYANATE97

  • Synonyms:

    4-Chlorobenzyl isocyanate;1-chloro-4-(isocyanatomethyl)benzene;Benzene, 1-chloro-4-(isocyanatomethyl)-;ACMC-20amkp;4-chlorobenzylisocyanate;4-chloro-benzylisocyanate;4-chloro benzyl isocyanate;4-Chloro-benzyl isocyanate;SCHEMBL151739;4-Chlorobenzyl isocyanate, 97%

4-CHLOROBENZYLISOCYANATE97 Basic Attributes

167.59200

167.01400

DTXSID10391895

2929109000

Characteristics

29.43000

2.17580

1.265 g/mL at 25ºC(lit.)

233-234ºC(lit.)

>230 °F

n20/D 1.5460(lit.)

Safety Information

UN 2206PSN2C 6.1 / PGIII

3

R42;R20/21/22;R36/37/38

S23;S26;S36

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
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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