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Home > Encyclopedia > Allyl isocyanate

Allyl isocyanate

Allyl isocyanate structure

Allyl isocyanate 

structure
  • CAS No:

    1476-23-9

  • Formula:

    C4H5NO

  • Chemical Name:

    Allyl isocyanate

  • Synonyms:

    1-Propene,3-isocyanato-;Isocyanic acid,allyl ester;3-Isocyanato-1-propene;Propene,3-isocyanato-;Allyl isocyanate;2-Propenyl isocyanate;NSC 96964

Allyl isocyanate Basic Attributes

83.09

83.09

506106

-0

96964

DTXSID8061719

2929109000

Characteristics

29.4

1.66

yellow

0.9±0.1 g/cm3

87-89 °C

110 °F

1.421

Hydrolyzes in water.

2-8°C

62.3mmHg at 25°C

Intravenous-mouse LD50: 18 mg/kg; subcutaneous-mouse LD50: 6 mg/kg

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

III

3

UN 3080 6.1/PG 2

3

36/37/38-42-34-23/24/25-10-42/43

23-26-36/37/39-45

NQ8175000

Xn,T

Treasury is ventilated, low temperature and dry; stored separately from food materials

P261-P280-P301 + P310-P305 + P351 + P338-P311

H226-H301 + H311 + H331-H315-H317-H319-H334

|Danger|H226 (90.7%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P310, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

highly toxic

Drug Information

allyl isocyanate

Allyl isocyanate Use and Manufacturing

1-Propene, 3-isocyanato-: ACTIVE

Computed Properties

Molecular Weight:83.09
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:83.037113783
Monoisotopic Mass:83.037113783
Topological Polar Surface Area:29.4
Heavy Atom Count:6
Complexity:81.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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