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Home > Encyclopedia > 1-Isocyanato-4-(phenylmethyl)benzene

1-Isocyanato-4-(phenylmethyl)benzene

1-Isocyanato-4-(phenylmethyl)benzene structure

1-Isocyanato-4-(phenylmethyl)benzene 

structure
  • CAS No:

    1823-37-6

  • Formula:

    C14H11NO

  • Chemical Name:

    1-Isocyanato-4-(phenylmethyl)benzene

  • Synonyms:

    Benzene,1-isocyanato-4-(phenylmethyl)-;Isocyanic acid,α-phenyl-p-tolyl ester;1-Isocyanato-4-(phenylmethyl)benzene;4-Benzylphenyl isocyanate;4-Benzyl-1-isocyanatobenzene;1-Benzyl-4-isocyanatobenzene

Description

Diphenylmethane monoisocyanate is an isocyanate that is the 4-isocyanato derivative of diphenylmethane. It has a role as an allergen.

1-Isocyanato-4-(phenylmethyl)benzene Basic Attributes

209.247

209.24

DTXSID60171280

2929109000

Characteristics

29.43000

3.24470

1.11 g/mL at 25ºC(lit.)

120 °C @ Press: 0.07 Torr

230 °F

n20/D 1.589(lit.)

Safety Information

UN 3334

3

20/21/22-36/37/38

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 38 companies from 1 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:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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