3,4-dinitrobenzoyl Chloride

Base Information

• Chemical Name: 3,4-dinitrobenzoyl Chloride
• CAS No.: 24376-18-9
• Molecular Formula: C7H3ClN2O5
• Molecular Weight: 230.564
• DSSTox Substance ID: DTXSID70473166
• Nikkaji Number: J1.824.397K
• Wikidata: Q82302363
• Mol file: 24376-18-9.mol

Synonyms:3,4-dinitrobenzoyl Chloride;24376-18-9;Benzoyl chloride, 3,4-dinitro-;MFCD13689019;3,4 dinitrobenzoylchloride;3,4-dinitrobenzoylChloride;3,4-dinitro-benzoylchloride;3, 4-dinitrobenzoyl chloride;3,4-dinitro-benzoyl chloride;SCHEMBL1966463;DTXSID70473166;ZEMNPBSGWVIXTF-UHFFFAOYSA-N;AC1719;AKOS037649559;CS-12085;SY037222;A918778

Chemical Property of 3,4-dinitrobenzoyl Chloride

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.9730489
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-dinitrobenzoyl Chloride

There total 3 articles about 3,4-dinitrobenzoyl 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: 100.0%

3,4-dinitrobenzoic acid (528-45-0) → 3,4-dinitrobenzoyl chloride (24376-18-9)

Guidance literature:

With thionyl chloride; In toluene; for 4h; Reflux;

DOI:10.1039/d0dt00168f

Reference yield:

oxalyl dichloride (79-37-8) + 3,4-dinitrobenzoic acid (528-45-0) → tert-butyl 3,4-dinitrobenzoate (62754-22-7) + 3,4-dinitrobenzoyl chloride (24376-18-9)

Guidance literature:

With pyridine; In benzene;

Reference yield:

→ 3,4-dinitrobenzoyl chloride (24376-18-9)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19430260213

upstream raw materials:

3,4-dinitrobenzoic acid

oxalyl dichloride

Downstream raw materials:

3,4-dinitrobenzoic anhydride

2-(3,4-Dinitrobenzoyl)-1H-pyrrole

<4-(cyanomethyl)2-thienyl>(3,4-dinitrophenyl)methanone

3,4-dinitro-N-(5-nitro-thiazol-2-yl)-benzamide

Refernces

• 1、 Bonardi, Laure,Ulrich, Gilles,Ziessel, Raymond. "Convenient synthesis of isocyanate and isothiocyanate-substituted boron dipyrromethene dyes and derivatives". . p. 450 - 454. Retrieved 2006.
• 2、 Baecker, Daniel,Gust, Ronald,H?rschl?ger, Carina,Kircher, Brigitte,Ma, Benjamin N.,Sagasser, Jessica,Schultz, Lukas,Steiner, Lucy,Weinreich, Maria. "Amide and ester derivatives of chlorido[4-carboxy-1,2-disalicylideneaminobenzene]iron(iii) as necroptosis and ferroptosis inducers". supporting information. p. 6842 - 6853. Retrieved 2020/06/08.
• 3、 Abel, Brooks A.,Lidston, Claire A. L.,Coates, Geoffrey W.. "Mechanism-Inspired Design of Bifunctional Catalysts for the Alternating Ring-Opening Copolymerization of Epoxides and Cyclic Anhydrides". supporting information. p. 12760 - 12769. Retrieved 2019/08/26.