5-Chlorobenzene-1,3-dicarbonyl dichloride

Base Information

• Chemical Name: 5-Chlorobenzene-1,3-dicarbonyl dichloride
• CAS No.: 2855-02-9
• Molecular Formula: C8H3Cl3O2
• Molecular Weight: 237.47
• DSSTox Substance ID: DTXSID90492071
• Nikkaji Number: J153.034H
• Wikidata: Q82337460
• Mol file: 2855-02-9.mol

Synonyms:2855-02-9;5-Chlorobenzene-1,3-dicarbonyl dichloride;SCHEMBL3358922;DTXSID90492071

Chemical Property of 5-Chlorobenzene-1,3-dicarbonyl dichloride

Chemical Property:

• Boiling Point: 122-126 °C(Press: 4 Torr)
• PSA: 34.14000
• Density: 1.540±0.06 g/cm3(Predicted)
• LogP: 3.09800
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.919862
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)Cl)Cl)C(=O)Cl

Technology Process of 5-Chlorobenzene-1,3-dicarbonyl dichloride

There total 3 articles about 5-Chlorobenzene-1,3-dicarbonyl dichloride 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:

benzene-1,3-dicarbonyl dichloride (99-63-8) → 5-chloroisophthalic acid chloride (2855-02-9)

Guidance literature:

With chlorine; iron; at 100 ℃;

DOI:10.1021/ja01190a513

Reference yield:

isophthalic acid (121-91-5) → 5-chloroisophthalic acid chloride (2855-02-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Benzotrichlorid; iron(III) chloride / 2 h / 50 - 120 °C

2: iron(III) chloride; chlorine / 70 - 130 °C

With iron(III) chloride; chlorine; Benzotrichlorid;

Reference yield:

→ 5-chloroisophthalic acid chloride (2855-02-9)

Guidance literature:

Isophthalsaeure-dichlorid, Cl2 (gemaess J. Am. Chem. Soc., 70 <1948> 3518);

upstream raw materials:

benzene-1,3-dicarbonyl dichloride

isophthalic acid

Downstream raw materials:

5-chloro-isophthalic acid

3,5-dichlorobenzoyl chloride

1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate

Refernces

• 1、 -. "Method for synthesizing 3.5-dichlorobenzene formyl chloride". Paragraph 0016; 0028; 0031; 0034; 0038; 0040; 0044. . Retrieved 2019/04/30.