1,2-Dichloro-3,5-dinitrobenzene

Base Information

• Chemical Name: 1,2-Dichloro-3,5-dinitrobenzene
• CAS No.: 2213-80-1
• Molecular Formula: C6H2Cl2N2O4
• Molecular Weight: 236.999
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID30452215
• Nikkaji Number: J80.428B
• Wikidata: Q82272690
• Mol file: 2213-80-1.mol

Synonyms:1,2-Dichloro-3,5-dinitrobenzene;2213-80-1;Benzene, 1,2-dichloro-3,5-dinitro-;1,2-dichloro-4,6-dinitro-benzene;SCHEMBL496363;DTXSID30452215;UDZACPYKQWPMBC-UHFFFAOYSA-N;AMY28162;CAA21380;MFCD00465579;AS-61874;W17021;A928548

Chemical Property of 1,2-Dichloro-3,5-dinitrobenzene

Chemical Property:

• Melting Point: 56 °C
• Boiling Point: 318.2±37.0 °C(Predicted)
• PSA: 91.64000
• Density: 1.729±0.06 g/cm3(Predicted)
• LogP: 3.85620
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 235.9391619
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

98% ^*data from raw suppliers

1,2-Dichloro-3,5-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dichloro-3,5-dinitrobenzene

There total 10 articles about 1,2-Dichloro-3,5-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: 48.0%

1-chloro-2,4-dinitro-benzene (97-00-7) → 2,4,6-trinitrochlorobenzene (88-88-0) + 1,2-dichloro-3,5-dinitrobenzene (2213-80-1)

Guidance literature:

With sulfur trioxide; nitric acid; In sulfuric acid; at 130 ℃; for 0.5h; Product distribution; Rate constant; Mechanism; isotope labelled experiments;

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 2,4,6-trinitrochlorobenzene (88-88-0) + 1,2-dichloro-3,5-dinitrobenzene (2213-80-1) + 1,2,3-trichloro-4,6-dinitrobenzene (6379-46-0)

Guidance literature:

With hydrogenchloride; sulfuric acid; nitric acid; at 130 ℃; Rate constant; Product distribution; Cl₂ in place of HCl;

upstream raw materials:

1,2-Dichloro-3-nitrobenzene

1,2-dichloro-benzene

2-chloro-4,6-dinitro-phenol

p-toluenesulfonyl chloride

Downstream raw materials:

1-chloro-3,5-dinitro-2-piperidylbenzene

2-chloro-N,N-dimethyl-4,6-dinitro-aniline

N'-(2-Chloro-4,6-dinitro-phenyl)-N,N-diethyl-ethane-1,2-diamine

2,4-Dinitro-6-chlorphenetol

Refernces

• 1、 Melhuish, Martin W.,Moodie, Roy B.. "Electrophilic Aromatic Substitution. Part 35. Chlorination of 1,3-Dinitrobenzene, 1-Chloro-2,4-dinitrobenzene, and 2,4-Dinitrotoluene with Nitric Acid and Hydrogen Chloride or Chlorine in Sulphuric Acid or Oleum". . p. 667 - 674. Retrieved 2007/10/02.
• 2、 Moodie, Roy B.,Stephens, R. John. "Electrophilic Aromatic Substitution. Part 33. Kinetics and Products of Aromatic Nitrations in Solutions of Dinitrogen Pentaoxide in Nitric Acid". . p. 1059 - 1064. Retrieved 2007/10/02.