Benzene, 1-nitro-4-(trichloromethyl)-

Base Information

• Chemical Name: Benzene, 1-nitro-4-(trichloromethyl)-
• CAS No.: 3284-64-8
• Molecular Formula: C7H4Cl3NO2
• Molecular Weight: 240.473
• DSSTox Substance ID: DTXSID6073318
• Wikidata: Q82001696
• Mol file: 3284-64-8.mol

Synonyms:Benzene, 1-nitro-4-(trichloromethyl)-;3284-64-8;1-nitro-4-(trichloromethyl)benzene;4-Nitrobenzotrichlorid;SCHEMBL1244269;DTXSID6073318

Chemical Property of Benzene, 1-nitro-4-(trichloromethyl)-

Chemical Property:

• Vapor Pressure: 0.000668mmHg at 25°C
• Boiling Point: 318.6°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 45.82000
• Density: 1.575g/cm³
• LogP: 3.94470
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.930761
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(Cl)(Cl)Cl)[N+](=O)[O-]

Technology Process of Benzene, 1-nitro-4-(trichloromethyl)-

There total 9 articles about Benzene, 1-nitro-4-(trichloromethyl)- 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: 100.0%

→ 1-nitro-4-(trichloromethyl)benzene (3284-64-8)

Guidance literature:

Reference yield: 99.0%

1-methyl-4-nitrobenzene (99-99-0) → 1-nitro-4-(trichloromethyl)benzene (3284-64-8)

Guidance literature:

With hypochlorous anhydride; In tetrachloromethane; at 25 ℃; for 96h;

DOI:10.1021/ja00381a032

Reference yield: 94.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + 4-nitro-benzoic acid (62-23-7) → 1-nitro-4-(trichloromethyl)benzene (3284-64-8)

Guidance literature:

With phosphorus pentachloride; sodium carbonate; In water;

upstream raw materials:

p-nitrobenzylidyne tribromide

1-methyl-4-nitrobenzene

1-dichloromethyl-4-nitrobenzene

bis(4-nitrobenzyl) sulfide

Downstream raw materials:

α,α,α',α'-tetrachloro-4,4'-dinitro-bibenzyl

1,1,2,2-Tetrafluor-1,2-bis-<4-amino-phenyl>-aethan

1,1,2,2-Tetrafluor-1,2-bis-<4-nitro-phenyl>-aethan