Nitroethylene

Base Information

• Chemical Name: Nitroethylene
• CAS No.: 3638-64-0
• Molecular Formula: C2H3NO2
• Molecular Weight: 73.0513
• Hs Code.: 2904209090
• European Community (EC) Number: 687-643-6
• DSSTox Substance ID: DTXSID0075235
• Nikkaji Number: J149.597F
• Wikipedia: Nitroethylene
• Wikidata: Q5273015
• Metabolomics Workbench ID: 57637
• Mol file: 3638-64-0.mol

Synonyms:Nitroethylene;Nitroethene;3638-64-0;Ethene, nitro-;1-nitroethene;1-nitroethylene;CH2=CHNO2;C2H3NO2;26618-70-2;1-Nitroethene (~ 1 mole/L in Toluene);aci-nitroethylene;Ethylene, nitro-;DTXSID0075235;nitroethene (2.5M in toluene);CHEBI:51131;AMY36706;AKOS005146539;AT20025;LS-67657;NITROETHENE SOLUTION (1M IN XYLENE);A6293;FT-0652362;EN300-86457;Q5273015

Chemical Property of Nitroethylene

Chemical Property:

• Vapor Pressure: 45.8mmHg at 25°C
• Melting Point: -55.5°C
• Refractive Index: 1.406
• Boiling Point: 98.5 °C at 760 mmHg
• Flash Point: 23.2 °C
• PSA: 45.82000
• Density: 1.052 g/cm³
• LogP: 0.92980
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 73.016378338
• Heavy Atom Count: 5
• Complexity: 53.2

Purity/Quality:

99% min ^*data from raw suppliers

1-Nitroethene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C[N+](=O)[O-]
• Uses: Nitroethylene is the simplest ntiroalkene and serves as a useful intermediate for the production of various chemicals and pharmaceutical goods.

Technology Process of Nitroethylene

There total 36 articles about Nitroethylene 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: 89.0%

2-nitro-1-ethanol (625-48-9) → 1-nitroethylene (3638-64-0,26618-70-2)

Guidance literature:

With phthalic anhydride; at 150 - 180 ℃; under 80 Torr;

DOI:10.1021/jo026187p

Reference yield: 80.0%

acrylic acid (79-10-7) → 1-nitroethylene (3638-64-0,26618-70-2)

Guidance literature:

With tert.-butylnitrite; silica gel; In acetonitrile; at 100 ℃; under 2250.23 Torr; Time; Temperature; Pressure; Microwave irradiation;

DOI:10.1080/00397911.2012.735331

Reference yield: 80.0%

phthalic anhydride (85-44-9) + 2-nitro-1-ethanol (625-48-9) → 1-nitroethylene (3638-64-0,26618-70-2)

Guidance literature:

at 140 - 180 ℃; under 80 Torr; Heating;

DOI:10.1021/jo01295a003

upstream raw materials:

phthalic anhydride

2-nitro-1-ethanol

formaldehyd

nitromethane

Downstream raw materials:

3-(2-nitroethyl)indole

decan-5-one oxime

1-nitrohexane

N,N-bis-(2-nitro-ethyl)-aniline

Refernces

• 1、 Yakimchyk, Viktoryia S.,Kazlova, Volha V.,Hurski, Alaksiej L.,Savchenko, Rimma G.,Kostyleva, Svetlana A.,Zhabinskii, Vladimir N.,Khripach, Vladimir A.. "Enantioselective catalytic approach to the C23–C28 subunit of 24α-methyl steroids". supporting information. p. 82 - 90. Retrieved 2019/05/24.
• 2、 Zarei, Mahmoud,Noroozizadeh, Ehsan,Moosavi-Zare, Ahmad R.,Zolfigol, Mohammad A.. "Synthesis of nitroolefins and nitroarenes under mild conditions". . p. 3645 - 3650. Retrieved 2018/04/14.