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Allyl isocyanate

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
Categories:
Specialty Chemicals

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Allyl isocyanate Basic Attributes

Molecular Weight：

83.09

Exact Mass：

83.09

BRN：

506106

EC Number：

-0

NSC Number：

96964

DSSTox ID：

DTXSID8061719

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

1.66

Appearance：

yellow

Density：

0.9±0.1 g/cm3

Boiling Point：

87-89 °C

Flash Point：

110 °F

Refractive Index：

1.421

Water Solubility：

Hydrolyzes in water.

Storage Conditions：

2-8°C

Vapor Pressure：

62.3mmHg at 25°C

Toxicity：

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

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3080 6.1/PG 2

wgk germany：

hazard class code：

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

safety instructions：

23-26-36/37/39-45

RTECS Number：

NQ8175000

Marks：

Xn,T

Storage features：

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

Precautionary statement(s)：

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

Hazard Statements：

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

GHS Classification：

|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

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

allyl isocyanate

Allyl isocyanate Use and Manufacturing

Manufacturing Info：

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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Allyl isocyanate

CAS No.: 1476-23-9

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ALLYL ISOCYANATE

CAS No.: 1476-23-9

Content: 98%

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