Fulminic acid

Base Information

• Chemical Name: Fulminic acid
• CAS No.: 506-85-4
• Molecular Formula: CHNO
• Molecular Weight: 43.025
• DSSTox Substance ID: DTXSID30334603
• Nikkaji Number: J973.550J
• Wikipedia: Fulminic acid,Fulminic_acid
• Wikidata: Q45143
• Pharos Ligand ID: X33L2ZXDRQXH
• Metabolomics Workbench ID: 54105
• ChEMBL ID: CHEMBL185198
• Mol file: 506-85-4.mol

Synonyms:Fulminic acid;formonitrile oxide;Knallsaeure;HCNO;Hydrogen cyanide N-oxide;formonitrile-N-oxide;Cynooxide anion;H-C#NO;(methylidyneammoniumyl)oxidanide;[C(H)NO];[CH(NO)];methylidyne(oxo)-lambda(5)-azane;hydrido(oxidonitrato-N)carbon;hydrido(nitrosyl-kappaN)carbon;CHEMBL185198;51060-05-0;CHEBI:29813;Formnitrile oxide;D0T6VB;DTXSID30334603;BDBM50152965;Q45143;formonitrile oxideformonitrile-N-oxidehydrido(nitrosyl-kappaN)carbonhydrido(oxidonitrato-N)carbon

Chemical Property of Fulminic acid

Chemical Property:

• Refractive Index: 1.4300 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 20.23000
• Density: g/cm³
• LogP: -0.47440
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 43.005813655
• Heavy Atom Count: 3
• Complexity: 31.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#[N+][O-]

Technology Process of Fulminic acid

There total 2 articles about Fulminic acid 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:

2,2-dimethyl-1,3-dioxane-4,5,6-trione O-ethyloxime (90368-31-3) → ethene (74-85-1) + isofulminic acid (506-85-4) + ethyl fulminate (76347-07-4)

Guidance literature:

In gas; at 580 ℃; under 0.0001 - 0.001 Torr;

DOI:10.1021/jo00189a025

Reference yield:

3-methyl-4-oximinoisoxazol-5(4H)-one (18438-56-7) → fulminic acid (51060-05-0,20411-61-4) + isocyanic acid (75-13-8) + cyanic acid (420-05-3) + isofulminic acid (506-85-4) + acetonitrile (75-05-8,26809-02-9)

Guidance literature:

In gas; byproducts: CO2; decomposition of 3-methyl-4-hydroxy-iminoisoxaline-5-one in the heated nozzle of the spectrometer at ca. 650°C; not isolated, detected by microwave spectroscopy;

DOI:10.1524/zpch.2000.214.10.1313

Reference yield:

isofulminic acid (506-85-4) → isocyanic acid (75-13-8)

Guidance literature:

Irradiation;

upstream raw materials:

2,2-dimethyl-1,3-dioxane-4,5,6-trione O-ethyloxime

3-methyl-4-oximinoisoxazol-5(4H)-one

Downstream raw materials:

isocyanic acid

nitrogen(II) oxide

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.