Peroxyacetyl nitrate

Base Information

• Chemical Name: Peroxyacetyl nitrate
• CAS No.: 2278-22-0
• Molecular Formula: C2H3 N O5
• Molecular Weight: 121.05
• Hs Code.: 2915900090
• European Community (EC) Number: 218-905-6
• UNII: SQ8V0P4N89
• DSSTox Substance ID: DTXSID4062301
• Wikipedia: Peroxyacetyl_nitrate
• Wikidata: Q3342203
• Mol file: 2278-22-0.mol

Synonyms:peroxyacetyl nitrate

Chemical Property of Peroxyacetyl nitrate

Chemical Property:

• Vapor Pressure: 2.9mmHg at 25°C
• Refractive Index: 1.4264 (estimate)
• Boiling Point: 156.4°Cat760mmHg
• Flash Point: 84.7°C
• PSA: 81.35000
• Density: 1.438g/cm³
• LogP: 0.19600
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 121.00112220
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OO[N+](=O)[O-]

Technology Process of Peroxyacetyl nitrate

There total 27 articles about Peroxyacetyl nitrate 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: 42.0%

dimethylacetylene (503-17-3) → Ketene (463-51-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + peroxyacetyl nitrate (2278-22-0) + acetic acid (64-19-7,77671-22-8) + dimethylglyoxal (431-03-8)

Guidance literature:

With nitrate radical; at 298 ℃; for 2h; under 760 Torr; Product distribution; Kinetics; Mechanism;

DOI:10.1039/ft9969203459

Reference yield: 30.0%

chloroethane (75-00-3) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + methyl nitrite (624-91-9) + methyl nitrate (598-58-3) + carbon dioxide (124-38-9,18923-20-1) + peroxyacetyl nitrate (2278-22-0)

Guidance literature:

With nitrogen(II) oxide; chlorine; In gas; at 21.9 ℃; under 700 Torr; Product distribution; Irradiation; dilution by air;

DOI:10.1021/j100125a016

Reference yield:

ethylacrolein (922-63-4) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethylglyoxal (4417-81-6) + peroxyacetyl nitrate (2278-22-0) + acetaldehyde (75-07-0,9002-91-9) + peroxy propionyl nitrate (5796-89-4) + C5H7NO5

Guidance literature:

With water; nitrogen(II) oxide; under 760 Torr; Mechanism; Product distribution; Ambient temperature; Irradiation; var. reaction conditions, also reaction with ozone;

upstream raw materials:

peracetic acid

ethyl nitrite

acetaldehyde

2-oxo-propionic acid

Downstream raw materials:

formaldehyd

acetaldehyde

acetylperoxy radical

methyl nitrate

Refernces

• 1、 Dommen, Joseph,Forster, Martin,Rupreccht, Heidi,Bauder, Alfred,Guenthard, Hans-Heinrich. "Linear-Reactor-IR.-Matrix and Microwave Spectroscopy of the System O3/NO2/(Z)-2-Butene". . p. 504 - 520. Retrieved 1982.
• 2、 Seland, John G.,Noremsaune, Ingse M. W.,Nielsen, Claus J.. "FTIR studies of the NO3 initiated degradation of but-2-yne: Mechanism and rate constant determination". . p. 3459 - 3465. Retrieved 1996.
• 3、 Kacmarek et al.. "". . p. 574. Retrieved 1978.
• 4、 Hasson, Alam S.,Tyndall, Geoffrey S.,Orlando, John J.,Singh, Sukhdeep,Hernandez, Samuel Q.,Campbell, Sean,Ibarra, Yesenia. "Branching ratios for the reaction of selected carbonyl-containing peroxy radicals with hydroperoxy radicals". experimental part. p. 6264 - 6281. Retrieved 2012/08/28.
• 5、 Ballesteros, Bernabe,Garzon, Andres,Jimenez, Elena,Notario, Alberto,Albaladejo, Jose. "Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms". . p. 1210 - 1218. Retrieved 2008/04/05.