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Home > Encyclopedia > 1-Isocyanato-2-(1-methylethyl)benzene

1-Isocyanato-2-(1-methylethyl)benzene

1-Isocyanato-2-(1-methylethyl)benzene structure

1-Isocyanato-2-(1-methylethyl)benzene 

structure
  • CAS No:

    56309-56-9

  • Formula:

    C10H11NO

  • Chemical Name:

    1-Isocyanato-2-(1-methylethyl)benzene

  • Synonyms:

    Benzene,1-isocyanato-2-(1-methylethyl)-;1-Isocyanato-2-(1-methylethyl)benzene;o-Cumenyl isocyanate;2-Isopropylphenyl isocyanate;1-Isocyanato-2-isopropylbenzene;1-Isocyanato-2-(propan-2-yl)benzene;1-Isocyanato-2-propan-2-ylbenzene

  • Categories:

    Chemical Reagents  >  Organic Reagents

1-Isocyanato-2-(1-methylethyl)benzene Basic Attributes

161.2

161.20

3588928

260-105-4

DTXSID30204852

2929109000

Characteristics

29.4

2.77730

Clear colorless Liquid

1.019 g/mL at 25 °C(lit.)

66-67 °C5 mm Hg(lit.)

190 °F

n20/D 1.524(lit.)

Insoluble in water.

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Safety Information

III

6.1

UN 2206 6.1/PG 3

3

20/21/22-36/37/38

23-26-36

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

|Danger|H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:161.20
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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