4-Chloro-2-nitrobenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-2-nitrobenzoyl chloride
• CAS No.: 41995-04-4
• Molecular Formula: C7H3Cl2NO3
• Molecular Weight: 220.012
• DSSTox Substance ID: DTXSID10446470
• Wikidata: Q82265111
• Mol file: 41995-04-4.mol

Synonyms:4-chloro-2-nitrobenzoyl chloride;41995-04-4;Benzoyl chloride, 4-chloro-2-nitro-;2-Nitro-4-chlorobenzoyl chloride;4-chloro-2-nitro-benzoyl Chloride;SCHEMBL2204732;DTXSID10446470;MMJYSVRCFSCVCI-UHFFFAOYSA-N;AKOS009270835;D87011

Chemical Property of 4-Chloro-2-nitrobenzoyl chloride

Chemical Property:

• PSA: 62.89000
• LogP: 3.15040
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.9489983
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

4-Chloro-2-nitro-benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)Cl

Technology Process of 4-Chloro-2-nitrobenzoyl chloride

There total 4 articles about 4-Chloro-2-nitrobenzoyl 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%

4-chloro-2-nitro-benzoic acid (6280-88-2) → 4-chloro-2-nitro-benzoyl chloride (41995-04-4)

Guidance literature:

With thionyl chloride; In toluene; for 3h; Heating;

DOI:10.1021/ol070820h

Reference yield:

4-chloro-2-nitrotoluene (89-59-8) → 4-chloro-2-nitro-benzoyl chloride (41995-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium permanganate; water; pyridine

2: phosphorus (V)-chloride

With pyridine; potassium permanganate; phosphorus pentachloride; water;

DOI:10.1039/jr9470000232 DOI:10.1021/jo01174a018

Reference yield:

4-chloro-2-nitrobenzonitrile (34662-32-3) → 4-chloro-2-nitro-benzoyl chloride (41995-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

2: phosphorus (V)-chloride

With phosphorus pentachloride; sulfuric acid;

DOI:10.1039/jr9470000232

upstream raw materials:

4-chloro-2-nitro-benzoic acid

4-chloro-2-nitrotoluene

4-chloro-2-nitrobenzonitrile

4-Chloro-2-nitroaniline

Downstream raw materials:

4-Chloro-N-cyanomethyl-2-nitro-benzamide

4-Chloro-N-(3-methyl-isoxazol-5-yl)-2-nitro-benzamide

4-Chloro-N-(3-imidazol-1-ylmethyl-phenyl)-2-nitro-benzamide

4-chloro-N-(5-methyl-isoxazol-3-yl)-2-nitro-benzamide

Refernces

• 1、 Rasina, Dace,Stakanovs, Georgijs,Borysov, Oleksandr V.,Pantelejevs, Teodors,Bobrovs, Raitis,Kanepe-Lapsa, Iveta,Tars, Kaspars,Jaudzems, Kristaps,Jirgensons, Aigars. "2-Aminoquinazolin-4(3H)-one based plasmepsin inhibitors with improved hydrophilicity and selectivity". . p. 2488 - 2500. Retrieved 2018/04/10.
• 2、 Caraballo, Rémi,Larsson, Mikael,Nilsson, Stefan K.,Ericsson, Madelene,Qian, Weixing,Tran, Nam Phuong Nguyen,Kindahl, Tomas,Svensson, Richard,Saar, Valeria,Artursson, Per,Olivecrona, Gunilla,Enquist, Per-Anders,Elofsson, Mikael. "Structure-activity relationships for lipoprotein lipase agonists that lower plasma triglycerides in vivo". . p. 191 - 209. Retrieved 2015/09/15.