Isocyanoacetylene

Base Information

• Chemical Name: Isocyanoacetylene
• CAS No.: 66723-45-3
• Molecular Formula: C₃HN
• Molecular Weight: 51.0476
• DSSTox Substance ID: DTXSID40985286
• Nikkaji Number: J1.057.981C
• Wikidata: Q82972784
• Mol file: 66723-45-3.mol

Synonyms:66723-45-3;Isocyanoacetylene;ISOCYANOETHYNE;Ethyne,isocyano-(9ci);DTXSID40985286

Chemical Property of Isocyanoacetylene

Chemical Property:

• PSA: 0.00000
• LogP: -0.27290
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 51.010899036
• Heavy Atom Count: 4
• Complexity: 84.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#C[N+]#[C-]

Technology Process of Isocyanoacetylene

There total 5 articles about Isocyanoacetylene 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:

→ Ethynyl isocyanide (66723-45-3) + (E)-1,2-Dichloroethenyl isocyanide + (Z)-1,2-Dichloroethenyl isocyanide

Guidance literature:

at 240 ℃; under 0.000750075 - 0.00750075 Torr; Pyrolysis;

DOI:10.1002/1521-3765(20000915)6:18<3377::AID-CHEM3377>3.0.CO;2-1

Reference yield:

→ Ethynyl isocyanide (66723-45-3)

Guidance literature:

at 510 ℃; under 8E-05 Torr;

DOI:10.1039/c39920000403

Reference yield:

→ Ethynyl isocyanide (66723-45-3)

Guidance literature:

at 240 ℃; for 12h; under 0.008 - 0.08 Torr; flash vacuum pyrolysis;

upstream raw materials:

propiolonitrile

1,2-dichloro-1,2,2-trifluoroethane