Hydrogen isocyanide

Base Information

• Chemical Name: Hydrogen isocyanide
• CAS No.: 6914-07-4
• Molecular Formula: CHN
• Molecular Weight: 27.0256
• Wikipedia: Hydrogen_isocyanide
• Wikidata: Q1107746
• Metabolomics Workbench ID: 55501
• Mol file: 6914-07-4.mol

Synonyms:hydrogen isocyanide;isocyanic acid

Chemical Property of Hydrogen isocyanide

Chemical Property:

• Boiling Point: 25.7°Cat760mmHg
• Flash Point: °C
• Density: 0.695g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 27.010899036
• Heavy Atom Count: 2
• Complexity: 10

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[NH+]

Technology Process of Hydrogen isocyanide

There total 25 articles about Hydrogen isocyanide 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: 80.0%

ammonia (7664-41-7) + toluene (108-88-3,15644-74-3,16713-13-6) → hydrogen isocyanide (74-90-8,6914-07-4)

Guidance literature:

hydrogen faujasite; In gas; byproducts: H2; 1000 K, 1 atm, 1.5 h on stream;

DOI:10.1039/c39800000097

Reference yield:

BBr3*H(1+)*CN(1-)=BBr3*HCN + water (7732-18-5) → boron trioxide + hydrogen isocyanide (74-90-8,6914-07-4) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

Reference yield:

BBr3*Ag(1+)*CN(1-)=BBr3*AgCN → hydrogen isocyanide (74-90-8,6914-07-4) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

With water; alcohol;

upstream raw materials:

methyl azide

nitromethane

oxygen

nitrogen(II) oxide

Downstream raw materials:

cis-1-hydroxy-4-isopropenylcyclohexanecarbonitrile

sulfur dioxide

carbon dioxide

1-Cyanobutanol

Refernces

Reaction of cyanomethylene with nitric oxide and oxygen at 298 K: HCCN + NO, O₂

10.1021/jp962686g

The research investigates the reactions of the cyanomethylene (HCCN) radical with nitric oxide (NO) and molecular oxygen (O2) at 298 K using infrared kinetic spectroscopy. The study determines the overall second-order rate constants for these reactions as (3.5 ± 0.6) × 10^-11 cm3 molecule^-1 s^-1 for HCCN + NO and (1.8 ± 0.4) × 10^-12 cm3 molecule^-1 s^-1 for HCCN + O2. For the reaction with NO, hydrogen cyanide (HCN) and fulminic acid (HCNO) were observed as products, while for the reaction with O2, HCN, hydrogen isocyanide (HNC), and carbon dioxide (CO2) were identified. The study also searched for but did not detect several other potential products, including isocyanic acid (HNCO), cyanic acid (HOCN), formyl radical (HCO), isofulminic acid (HONC), hydroxyl radical (OH), and ethynyl radical (C2H). The research concludes that the observed products are likely formed through secondary processes rather than directly from the reactions of HCCN with NO or O2.