Isocyanato radical

Base Information

• Chemical Name: Isocyanato radical
• CAS No.: 22400-26-6
• Molecular Formula: CN O
• Molecular Weight: 42.0171
• DSSTox Substance ID: DTXSID00176936
• Nikkaji Number: J1.293.300B,J796.258D
• Mol file: 22400-26-6.mol

Synonyms:Isocyanato radical;NCO radical;22400-26-6;Cyanato;Isocyanatoradical;OCN(.);CHEBI:29808;DTXSID00176936

Chemical Property of Isocyanato radical

Chemical Property:

• PSA: 23.79000
• LogP: -0.10202
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 41.997988624
• Heavy Atom Count: 3
• Complexity: 27.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=[N])=O

Technology Process of Isocyanato radical

There total 17 articles about Isocyanato radical 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:

carbon suboxide (504-64-3) + nitrogen(II) oxide (10102-43-9) → carbon nitride (2074-87-5) + isocyanate radical (22400-26-6) + carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) + dinitrogen monoxide (10024-97-2)

Guidance literature:

With SF₆; Xe; In neat (no solvent, gas phase); Irradiation (UV/VIS); further products, 266-nm photolysis, 0.1-0.5 Torr C3O2 in the presence of 0-0.8 Torr NO, 1 Torr SF6, and 1.00 Torr Xe at 298-573 K; not isolated, detected by IR; Kinetics;

DOI:10.1021/jp0304125

Reference yield:

chlorine isocyanate (13858-09-8) → nitrogen + nitrene chloride (12190-75-9,10599-90-3) + isocyanate radical (22400-26-6) + carbon monoxide (201230-82-2) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2)

Guidance literature:

In gas; Irradiation (UV/VIS); gas phase photolysis of ClNCO at 249 nm; not isolated, detected by IR and UV spectroscopy;

DOI:10.1063/1.448962

Reference yield:

chlorine isocyanate (13858-09-8) → isocyanate radical (22400-26-6) + carbon monoxide (201230-82-2) + nitrogen (7727-37-9) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2)

Guidance literature:

Irradiation (UV/VIS); photolyse of ClNCO by excimer laser at 248 nm; detected by UV spectroscopy;

DOI:10.1063/1.454843

upstream raw materials:

C₁₄H₂₀N₃O₃⁽¹⁺⁾*CNO^(1-)

chromium⁽⁰⁾ hexacarbonyl

chlorine isocyanate

carbon nitride

Downstream raw materials:

isocyanic acid

ethene

hydrogen cyanide

acetaldehyde

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