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Home > Encyclopedia > 1-Isocyanato-3-(phenylmethyl)benzene

1-Isocyanato-3-(phenylmethyl)benzene

1-Isocyanato-3-(phenylmethyl)benzene structure

1-Isocyanato-3-(phenylmethyl)benzene 

structure
  • CAS No:

    480439-07-4

  • Formula:

    C14H11NO

  • Chemical Name:

    1-Isocyanato-3-(phenylmethyl)benzene

  • Synonyms:

    Benzene,1-isocyanato-3-(phenylmethyl)-;1-Isocyanato-3-(phenylmethyl)benzene;3-Benzylphenyl isocyanate;1-Benzyl-3-(isocyanato)benzene

1-Isocyanato-3-(phenylmethyl)benzene Basic Attributes

209.24324

209.24

DTXSID00399562

2929109000

Characteristics

29.43000

3.24470

1.106 g/mL at 25ºC(lit.)

324.1ºC at 760 mmHg

>230 °F

n20/D 1.5880(lit.)

Safety Information

3

20/21/22-36/37/38

26-36

Xn

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, P501

H302

|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:209.24
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:209.084063974
Monoisotopic Mass:209.084063974
Topological Polar Surface Area:29.4
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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