1,3-Dichloro-4,6-dinitrobenzene

Base Information

• Chemical Name: 1,3-Dichloro-4,6-dinitrobenzene
• CAS No.: 3698-83-7
• Molecular Formula: C6H2Cl2N2O4
• Molecular Weight: 236.999
• Hs Code.: 29049090
• European Community (EC) Number: 223-027-1
• NSC Number: 28971
• UNII: 6ENC7C8ZR0
• DSSTox Substance ID: DTXSID6022210
• Nikkaji Number: J205.612G
• Wikidata: Q27264726
• Mol file: 3698-83-7.mol

Synonyms:1,3-Dichloro-4,6-dinitrobenzene;1,5-Dichloro-2,4-dinitrobenzene;3698-83-7;Benzene, 1,5-dichloro-2,4-dinitro-;2,4-Dichloro-1,5-dinitrobenzene;4,6-Dichloro-1,3-dinitrobenzene;1,3,-Dichloro-4,6-dinitrobenzene;EINECS 223-027-1;NSC 28971;UNII-6ENC7C8ZR0;6ENC7C8ZR0;AI3-28912;1,5-dichloro-2,4-dinitro-benzene;MFCD00024186;NSC-28971;2,5-dinitrobenzene;SCHEMBL359519;DTXSID6022210;Benzene,5-dichloro-2,4-dinitro-;NSC28971;CK2347;STL371284;AKOS015833822;Benzene, 1,3-dichloro-4,6-dinitro-;CS-W010313;2,6-DICHLORO-3,5-DINITROBENZENE;4,6-DINITRO-1,3-DICHLOROBENZENE;AC-25691;AS-18322;SY075311;1,3,-Dichloro-4,6-dinitrobenzene, 97%;LS-184937;AM20040305;D4205;FT-0600248;A24642;W-106574;Q27264726

Chemical Property of 1,3-Dichloro-4,6-dinitrobenzene

Chemical Property:

• Appearance/Colour: pale yellow crystallline powder
• Vapor Pressure: 0.000203mmHg at 25°C
• Melting Point: 101-104 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 337.6 °C at 760 mmHg
• Flash Point: 158 °C
• PSA: 91.64000
• Density: 1.729 g/cm³
• LogP: 3.85620
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 235.9391619
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dichloro-4,6-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; N
• Hazard Codes: N,Xi
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
• Uses: 1,5-Dichloro-2,4-dinitrobenzene is used as pharmaceutical intermediate.

Technology Process of 1,3-Dichloro-4,6-dinitrobenzene

There total 18 articles about 1,3-Dichloro-4,6-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: 91.1%

1,3-Dichlorobenzene (541-73-1) → 2,4-dichloro-1,5-dinitrobenzene (3698-83-7)

Guidance literature:

With sulfuric acid; potassium nitrate; at 80 - 130 ℃; for 4.5h;

DOI:10.1039/c4cc06291d

Reference yield: 10.0%

4,6-dichloro-1,3-benzenediamine (20248-64-0) → 2,4-dichloro-1,5-dinitrobenzene (3698-83-7) + 1,5-dichloro-2,4-dinitrosobenzene (252265-68-2) + 1,5-dichloro-2-nitro-4-nitrosobenzene

Guidance literature:

With caro's acid; In sulfuric acid; at -3 - 6 ℃; for 72h;

DOI:10.1007/BF02495293

Reference yield:

2,4-dichloronitrobenzene (611-06-3) → 2,4-dichloro-1,5-dinitrobenzene (3698-83-7)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

2,4-dichloronitrobenzene

4,6-dinitroresorcinol

p-toluenesulfonyl chloride

5-chloro-2,4-dinitrophenol

Downstream raw materials:

5-chloro-N,N-dimethyl-2,4-dinitro-aniline

2,2'-(4,6-dinitro-m-phenylenedimercapto)-di-aniline

5-chloro-6-nitro-2-phenyl-2H-benzotriazole

5-chloro-6-nitro-2-phenyl-2H-benzotriazole 1-oxide

Refernces

• 1、 -. "Preparation method of 1, 5-dichloro-2, 4-dinitrobenzene". Paragraph 0014-0015. . Retrieved 2021/07/10.
• 2、 -. "Method for synthesizing 2-(5-fluoro-1, 5 dinitro-phenoxy) acetate". Paragraph 0027-0028. . Retrieved 2019/05/28.