1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-

Base Information

• Chemical Name: 1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-
• CAS No.: 87350-83-2
• Molecular Formula: C8H4ClNO6
• Molecular Weight: 245.57300
• DSSTox Substance ID: DTXSID80527306
• Wikidata: Q82396483
• Mol file: 87350-83-2.mol

Synonyms:1,3-Benzenedicarboxylic acid,2-chloro-5-nitro;2-Chloro-5-nitro-1,3-benzenedicarboxylic acid;

Chemical Property of 1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-

Chemical Property:

• PSA: 120.42000
• LogP: 2.16780
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 244.9727145
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-

There total 1 articles about 1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro- 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: 86.0%

2,6-dicarboxychlorobenzene (13049-16-6) → 2-Chloro-5-nitro-1,3-benzenedicarboxylic acid (87350-83-2)

Guidance literature:

With sulfuric acid; nitric acid; for 6h; Heating;

DOI:10.1021/jo00172a040

Reference yield: 88.0%

methanol (67-56-1) + 2-Chloro-5-nitro-1,3-benzenedicarboxylic acid (87350-83-2) → Dimethyl 2-chloro-5-nitro-1,3-benzenedicarboxylate (87350-69-4)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1021/jo00172a040

Reference yield:

2-Chloro-5-nitro-1,3-benzenedicarboxylic acid (87350-83-2) → 2-Chloro-5-nitro-isophthaloyl dichloride

Guidance literature:

With thionyl chloride; In benzene; for 24h; Heating;

upstream raw materials:

2,6-dicarboxychlorobenzene

Downstream raw materials:

Dimethyl 2-chloro-5-nitro-1,3-benzenedicarboxylate

5-amino-2-chloro-1,3-diacetylbenzene

2,5-bismethylthio-1,3-diacetylbenzene

2-chloro-1,3-diacetyl-5-nitrobenzene

Refernces