Allyl isocyanate

Base Information

• Chemical Name: Allyl isocyanate
• CAS No.: 1476-23-9
• Molecular Formula: C4H5 N O
• Molecular Weight: 83.0898
• Hs Code.: 29291090
• European Community (EC) Number: 629-197-7
• NSC Number: 96964
• UNII: DK4CJU9MCX
• DSSTox Substance ID: DTXSID8061719
• Nikkaji Number: J27.134I
• Mol file: 1476-23-9.mol

Synonyms:allyl isocyanate

Chemical Property of Allyl isocyanate

Chemical Property:

• Vapor Pressure: 62.3mmHg at 25°C
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 88 °C at 760 mmHg
• Flash Point: 43 ºC
• PSA: 29.43000
• Density: 0.94
• LogP: 0.50820
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 81.5

Purity/Quality:

98.0%Min ^*data from raw suppliers

Allyl isocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 36/37/38-42-34-23/24/25-10-42/43
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN=C=O
• Uses: It finds its application in the synthesis, characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels and their in vitro release of albumin. Organic intermediate, cross-linking agent, polymer modifier.

Technology Process of Allyl isocyanate

There total 22 articles about Allyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

allylurea (557-11-9) → allylisocyanate (1476-23-9)

Guidance literature:

With hydrogenchloride; tetrabutylammomium bromide; sodium nitrite; In water; toluene; at 0 ℃; for 5.5h; Temperature;

Reference yield: 81.0%

methyl allylcarbamate (19364-21-7) → allylisocyanate (1476-23-9)

Guidance literature:

With trichloro(dichloromethyl)silane; at 95 - 150 ℃; for 0.5h;

Reference yield:

C8H18N2OSi → chloro-trimethyl-silane (75-77-4) + allylisocyanate (1476-23-9) + methyl isocyanate (624-83-9)

Guidance literature:

With Phenyltrichlorosilane; at 150 - 210 ℃;

upstream raw materials:

allyl iodid

silver cyanate

triallyl isocyanurate

allyl-carbamic acid-(2-hydroxy-phenyl ester)

Downstream raw materials:

N-allyl-N'-cyclohexyl-urea

N',N'-diethyl-N-allylurea

1-allyl-3-phenylurea

N'-methyl-N'-phenyl-N-allylurea

Refernces

• 1、 Hong, Wan Pyo,Tran, Van Hieu,Kim, Hee-Kwon. "Practical one-pot amidation of N -Alloc-, N -Boc-, and N -Cbz protected amines under mild conditions". . p. 15890 - 15895. Retrieved 2021/05/19.
• 2、 -. "Method for preparing isocyanate-based silane by hydrosilylation reaction". Paragraph 0020; 0022; 0024; 0026. . Retrieved 2019/10/01.