Vinyl isocyanate

Base Information

• Chemical Name: Vinyl isocyanate
• CAS No.: 3555-94-0
• Molecular Formula: C3H3 N O
• Molecular Weight: 69.0629
• Hs Code.: 2929109000
• European Community (EC) Number: 222-616-0
• DSSTox Substance ID: DTXSID40189040
• Nikkaji Number: J216.198B
• Mol file: 3555-94-0.mol

Synonyms:Isocyanatoethene;Vinyl isocyanate;3555-94-0;VINYL ISOCYANATE 97;EINECS 222-616-0;CH2=CHNCO;Ethene, isocyanato-;Vinyl isocyanate, 95%;DTXSID40189040;EN300-141417

Chemical Property of Vinyl isocyanate

Chemical Property:

• Vapor Pressure: 493mmHg at 25°C
• Refractive Index: n20/D 1.4190(lit.)
• Boiling Point: 37°Cat760mmHg
• Flash Point: °C
• PSA: 29.43000
• Density: 0.85g/cm³
• LogP: 0.46570
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 69.021463719
• Heavy Atom Count: 5
• Complexity: 71

Purity/Quality:

99%, ^*data from raw suppliers

VINYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-20/21-25-37/38-41-42-43-42/43
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CN=C=O

Technology Process of Vinyl isocyanate

There total 11 articles about Vinyl 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: 79.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + α-Chlorethylcarbamidsaeurechlorid (70008-75-2) → isocyanatoethene (3555-94-0)

Guidance literature:

at 40 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)90068-7

Reference yield: 69.0%

α-Chlorethylcarbamidsaeurechlorid (70008-75-2) + Isopropyl isocyanate (1795-48-8) → isocyanatoethene (3555-94-0)

Guidance literature:

DOI:10.1016/S0040-4020(01)90068-7

Reference yield: 61.0%

α-Chlorethylcarbamidsaeurechlorid (70008-75-2) → isocyanatoethene (3555-94-0) + 1-chloroethyl isocyanate (72866-60-5)

Guidance literature:

With Pinene; 25 deg C to 155 deg C in 6,5 h;

upstream raw materials:

acryloyl azide

acryloyl chloride

N-tert-Butyl-N-vinylcarbamidsaeurechlorid

N,N-dimethyl acetamide

Downstream raw materials:

N-Cyclohexyl-N'-vinyl-harnstoff

(S)-1-phenylethyl vinylcarbamothioate

9-[3-bromo-5-O-tert-butyldiphenylsilyl-3-deoxy-2-O-(N-vinylcarbamoyl)-β-D-xylofuranosyl]adenine

Refernces

• 1、 Konig. "Synthesis of vinylisocyanate". . p. 7729 - 7734. Retrieved 1990.
• 2、 Spyropoulos, Constantinos,Kokotos, Christoforos G.. "One-pot synthesis of ureas from Boc-protected amines". . p. 4477 - 4483. Retrieved 2014/06/09.
• 3、 -. "Nonacyclic nodulisporic acid derivatives". . . Retrieved 2008/06/13.