1,2-Dichloro-4,5-dinitrobenzene

Base Information

• Chemical Name: 1,2-Dichloro-4,5-dinitrobenzene
• CAS No.: 6306-39-4
• Molecular Formula: C6H2 Cl2 N2 O4
• Molecular Weight: 236.999
• Hs Code.: 2904909090
• NSC Number: 22945
• UNII: E5112AA0T0
• DSSTox Substance ID: DTXSID80212386
• Nikkaji Number: J54.881B
• Wikidata: Q27276874
• ChEMBL ID: CHEMBL1977118
• Mol file: 6306-39-4.mol

Synonyms:1,2-Dichloro-4,5-dinitrobenzene;6306-39-4;4,5-Dichloro-1,2-dinitrobenzene;Parazol;Benzene, 1,2-dichloro-4,5-dinitro-;1,2-DICHLORO-4,5-DINITRO-BENZENE;NSC 22945;BRN 2460868;UNII-E5112AA0T0;AI3-19504;E5112AA0T0;NSC-22945;4,2-dinitrobenzene;MFCD00010865;1,2diCl4,5diNO2Ph;WLN: WNR CG DG FNW;SCHEMBL3240210;CHEMBL1977118;1,2-Dichlor-4,5-dinitrobenzol;DTXSID80212386;Benzene,2-dichloro-4,5-dinitro-;NSC22945;CL8909;AKOS015916587;AKOS015960452;Butyl4,4-bis(tert-butyldioxy)valerate;1,2-Dichloro-4,5-dinitrobenzene, 98%;AC-11248;AS-46136;BP-10079;LS-29796;FT-0636088;Q27276874

Chemical Property of 1,2-Dichloro-4,5-dinitrobenzene

Chemical Property:

• Vapor Pressure: 7.87E-05mmHg at 25°C
• Melting Point: 105-107 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 352.3 °C at 760 mmHg
• Flash Point: 166.9 °C
• PSA: 91.64000
• Density: 1.729 g/cm³
• LogP: 3.85620
• 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: 225

Purity/Quality:

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

1,2-Dichloro-4,5-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 1,2-Dichloro-4,5-dinitrobenzene is a dye/stain. Dyes and metabolites.

Technology Process of 1,2-Dichloro-4,5-dinitrobenzene

There total 6 articles about 1,2-Dichloro-4,5-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: 53.0%

3,4-dichloronitrobenzene (99-54-7) → 1,2-dichloro-3,5-dinitrobenzene (2213-80-1) + 1,2-dichloro-4,5-dinitrobenzene (6306-39-4)

Guidance literature:

With sulfuric acid; nitric acid; dinitrogen pentoxide; at 25 ℃;

Reference yield: 46.0%

1,2-dichloro-benzene (95-50-1) → 1,2-dichloro-4,5-dinitrobenzene (6306-39-4)

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid; at 100 ℃; for 2h;

DOI:10.1080/15257779408013253

Reference yield:

3,4-dichloronitrobenzene (99-54-7) → 1,2-dichloro-4,5-dinitrobenzene (6306-39-4)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

3,4-dichloronitrobenzene

1,2-dichloro-benzene

sulfuric acid

nitric acid

Downstream raw materials:

4,5-dichloro-2-nitro-N-propyl-aniline

bis-(4,5-dichloro-2-nitro-phenyl)-disulfide

4-chloro-6-nitro-m-phenylenediamine

4,5-dichloro-2-nitroaniline

Refernces

• 1、 Moodie, Roy B.,Sanderson, Andrew J.,Willmer, Richard. "Electrophilic Aromatic Substitution. Part 37. Products of Aromatic Nitrations of some Chloronitrobenzenes and Substituted Benzoic Acids in Solutions of Dinitrogen Pentaoxide and of Nitronium Salts in Nitric Acid". . p. 645 - 650. Retrieved 2007/10/02.