TETRACHLORO-1,4-DINITROBENZENE

Base Information

• Chemical Name: TETRACHLORO-1,4-DINITROBENZENE
• CAS No.: 20098-38-8
• Molecular Formula: C6Cl4 N2 O4
• Molecular Weight: 305.889
• Hs Code.: 2904909090
• European Community (EC) Number: 243-510-0
• UNII: F5K6PP9FT5
• DSSTox Substance ID: DTXSID30173918
• Nikkaji Number: J280.442E
• Wikidata: Q83043959
• Mol file: 20098-38-8.mol

Synonyms:1,2,4,5-Tetrachloro-3,6-dinitrobenzene;1,2,4,5-Tetrachlorodinitrobenzene; 1,4-Dinitrotetrachlorobenzene; 2,3,5,6-Tetrachloro-1,4-dinitrobenzene;2,3,5,6-Tetrachloro-p-dinitrobenzene; 2,3,5,6-Tetrachlorodinitrobenzene;3,6-Dinitro-1,2,4,5-tetrachlorobenzene

Chemical Property of TETRACHLORO-1,4-DINITROBENZENE

Chemical Property:

• Vapor Pressure: 2.23E-05mmHg at 25°C
• Melting Point: 230°C
• Boiling Point: 371.3°Cat760mmHg
• Flash Point: 178.3°C
• PSA: 91.64000
• Density: 1.9g/cm³
• LogP: 5.16300
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 305.858267
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

TETRACHLORO-1,4-DINITROBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

Technology Process of TETRACHLORO-1,4-DINITROBENZENE

There total 9 articles about TETRACHLORO-1,4-DINITROBENZENE 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:

1,2,4,5-tetrachlorobenzene (95-94-3) → 1,2,4,5-tetrachloro-3,6-dinitrobenzene (20098-38-8)

Guidance literature:

With sulfuric acid; nitric acid; at 100 ℃;

DOI:10.1080/10903120190939607

Reference yield:

1.2.4.5-Tetrachlor-3-cyclohexyl-amino-6-nitro-benzol (22876-55-7) → 1,2,4,5-tetrachloro-3,6-dinitrobenzene (20098-38-8)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic acid; In chloroform; Heating;

DOI:10.1039/j39690001285

Reference yield:

hexachlorobenzene (118-74-1,67471-27-6) → 1,2,4,5-tetrachloro-3,6-dinitrobenzene (20098-38-8)

Guidance literature:

Multi-step reaction with 5 steps

2: H₂O₂, HCO₂H / CHCl₃

3: CF₃CO₂H, aq. H₂O₂ / CHCl₃ / Heating

4: tetrahydrothiophene 1,1-dioxide

5: CF₃CO₂H, aq. H₂O₂ / CHCl₃ / Heating

With formic acid; dihydrogen peroxide; trifluoroacetic acid; In sulfolane; chloroform;

DOI:10.1039/j39690001285

upstream raw materials:

1,2,4,5-tetrachlorobenzene

ethanol

benzene

1.2.4.5-Tetrachlor-3-cyclohexyl-amino-6-nitro-benzol

Downstream raw materials:

2,3,5,6-tetrachloro-4-nitro-anisole

2,3,5,6-tetrachloro-p-phenylenediamine

1-Fluor-4-nitrotetrachlorbenzol

2,3,5,6-tetrachloro-4-nitro-aniline