4,6-Dinitro-1,3-benzenedicarbonyl chloride

Base Information

• Chemical Name: 4,6-Dinitro-1,3-benzenedicarbonyl chloride
• CAS No.: 1723-42-8
• Molecular Formula: C8H2 Cl2 N2 O6
• Molecular Weight: 293.02
• DSSTox Substance ID: DTXSID60372775
• Wikidata: Q82160648
• Mol file: 1723-42-8.mol

Synonyms:1723-42-8;4,6-DINITRO-1,3-BENZENEDICARBONYL CHLORIDE;4,6-dinitrobenzene-1,3-dicarbonyl Chloride;4,6-dinitroisophthaloyl dichloride;4,6-dinitrobenzene-1,3-dicarbonyl dichloride;DTXSID60372775;AKOS004904858;N-(4-CHLOROBENZOYL)-4-METHOXYPHENYLHYDRAZINE

Chemical Property of 4,6-Dinitro-1,3-benzenedicarbonyl chloride

Chemical Property:

• Vapor Pressure: 3.03E-07mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 419.5°Cat760mmHg
• Flash Point: 207.5°C
• PSA: 125.78000
• Density: 1.765g/cm³
• LogP: 3.30740
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 291.9289912
• Heavy Atom Count: 18
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

4,6-DINITRO-1,3-BENZENEDICARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Dinitro-1,3-benzenedicarbonyl chloride

There total 3 articles about 4,6-Dinitro-1,3-benzenedicarbonyl chloride 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:

4,6-dinitrobenzene-1,3-dioic acid (1872-40-8) → 4,6-dinitrobenzene-1,3-dioyl dichloride (1723-42-8)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19350180131 DOI:10.1002/hlca.193702001130

Reference yield:

4,6-dinitro-m-xylene (616-72-8) → 4,6-dinitrobenzene-1,3-dioyl dichloride (1723-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / CrO₃; sulfuric acid / 5 h / -10 - 20 °C

2: thionyl chloride / 3 h / 75 °C

With chromium(VI) oxide; thionyl chloride; sulfuric acid;

DOI:10.1021/ol061913m

Reference yield:

2,4-dimethylnitrobenzene (89-87-2,156617-89-9,37551-97-6) → 4,6-dinitrobenzene-1,3-dioyl dichloride (1723-42-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / HNO₃; H₂SO₄ / H₂O / 1 h

2: 70 percent / CrO₃; H₂SO₄ / 10 - 20 °C

3: SOCl₂ / Heating

With chromium(VI) oxide; thionyl chloride; sulfuric acid; nitric acid; In water;

DOI:10.1021/ol0526322

upstream raw materials:

4,6-dinitrobenzene-1,3-dioic acid

4,6-dinitro-m-xylene

2,4-dimethylnitrobenzene

Downstream raw materials:

(4,6-dinitro-1,3-phenylene)bis(phenylmethanone)

1,5-diacetyl-2,4-dinitro-benzene

(4,6-Dinitro-isophthaloyl)dibenzamidrazon

dioctyl 4,6-dinitroisophthalate