1-Nitro-3-(trichloroethenyl)benzene

Base Information

• Chemical Name: 1-Nitro-3-(trichloroethenyl)benzene
• CAS No.: 713-33-7
• Molecular Formula: C8H4Cl3NO2
• Molecular Weight: 252.484
• European Community (EC) Number: 922-180-8
• DSSTox Substance ID: DTXSID30555654
• Mol file: 713-33-7.mol

Synonyms:713-33-7;SCHEMBL10951955;DTXSID30555654;1-Nitro-3-(trichloroethenyl)benzene;1-Nitro-3-(1,2,2-trichlorovinyl)benzene

Chemical Property of 1-Nitro-3-(trichloroethenyl)benzene

Chemical Property:

• PSA: 45.82000
• LogP: 4.46050
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 250.930761
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=C(Cl)Cl)Cl

Technology Process of 1-Nitro-3-(trichloroethenyl)benzene

There total 7 articles about 1-Nitro-3-(trichloroethenyl)benzene 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: 75.5%

C8H5Cl4NO2 → (m-nitrophenyl)trichloroethylene (713-33-7)

Guidance literature:

C₈H₅Cl₄NO₂; With iron(III) chloride; pyrographite; In ethanol; for 2h; Reflux;

With hydrazine hydrate; In ethanol;

Reference yield: 48.0%

1,1,1-trichloro-2-(m-nitrophenyl)ethane (89894-59-7) → (m-nitrophenyl)trichloroethylene (713-33-7) + 1-(2,2,2-trifluoroethyl)-3-nitrobenzene (114980-30-2) + 1,2-dichloro-2,2-difluoro-1-(m-nitrophenyl)ethane (114980-34-6)

Guidance literature:

With antimonypentachloride; antimony(III) fluoride; at 65 ℃; for 1h; Product distribution; other trichloroethyl aromatic compounds, var. SbF₃/SbCl₅ ratio, temperature, reaction time, and solvent;

DOI:10.1021/jo00250a049

Reference yield:

3-nitrotetrachloroethylbenzene → (m-nitrophenyl)trichloroethylene (713-33-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

upstream raw materials:

1-pentachloroethyl-3-nitro-benzene

trichlorovinylbenzene

1,1,1-trichloro-2-(m-nitrophenyl)ethane

Phenylpentachloroethane

Downstream raw materials:

N-<3-Trichlorvinyl-phenyl>-carbaminsaeureisopropylester

2-(3-aminophenyl)-1,1,2-trichloroethylene

3-(trichlorovinyl)aniline hydrochloride

4-amino-6-(trichlorovinyl)benzene-1,3-disulfonyl dichloride