Trichloronitroethylene

Base Information

• Chemical Name: Trichloronitroethylene
• CAS No.: 4607-81-2
• Molecular Formula: C2Cl3NO2
• Molecular Weight: 176.386
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID70480072
• Nikkaji Number: J1.263G
• Mol file: 4607-81-2.mol

Synonyms:trichloronitroethylene;Ethene, trichloronitro-;4607-81-2;1,2,2-trichloronitroethene;SCHEMBL7981846;DTXSID70480072

Chemical Property of Trichloronitroethylene

Chemical Property:

• Boiling Point: 50 °C(Press: 15 Torr)
• PSA: 45.82000
• Density: 1.63 g/cm3
• LogP: 2.62930
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.899461
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C(Cl)Cl)([N+](=O)[O-])Cl

Technology Process of Trichloronitroethylene

There total 2 articles about Trichloronitroethylene 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:

Trichloroethylene (79-01-6) → chloropicrin (76-06-2) + 1,1,2,2-tetrachloro-1-nitroethane (39185-89-2) + 1,1,2-trichloro-2-nitroethylene (4607-81-2)

Guidance literature:

With nitric acid; acetic acid; at 0 - 90 ℃; for 10h; Time;

DOI:10.1002/ejoc.201501066

Reference yield:

Trichloroethylene (79-01-6) → chloropicrin (76-06-2) + 1,1,2,2-tetrachloro-1-nitroethane (39185-89-2) + (Z)-1,2,2-trichloro-2-nitroethyl [chloro(nitro)methylene]azinate + 1,1,2-trichloro-2-nitroethylene (4607-81-2)

Guidance literature:

With phosphoric acid; nitric acid; at 100 - 105 ℃;

DOI:10.1002/ejoc.201501066

Reference yield: 65.0%

4-Aminobenzonitrile (873-74-5) + 1,1,2-trichloro-2-nitroethylene (4607-81-2) → 3-chloro-2-oxo-1,2-dihydroquinoxaline-6-carbonitrile 4-oxide (1080021-57-3)

Guidance literature:

With triethylamine; In methanol; at 40 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-2008-1067207

upstream raw materials:

Trichloroethylene

Downstream raw materials:

phenyl chloronitroorthoacetate

p-tolyl chloronitroorthoacetate

3-chloro-2-oxo-1,2-dihydroquinoxaline-6-carbonitrile 4-oxide

butyl 3-(trichlorovinyl)-4,5-dihydroisoxazole-5-carboxylate