4,5-Dichloronaphthalene-1,8-dicarboxylic acid

Base Information

• Chemical Name: 4,5-Dichloronaphthalene-1,8-dicarboxylic acid
• CAS No.: 7267-11-0
• Molecular Formula: C12H6Cl2O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00993504
• Nikkaji Number: J28.863B
• Mol file: 7267-11-0.mol

Synonyms:7267-11-0;4,5-Dichloronapthalene-1,8-dicarboxylic acid;4,5-dichloronaphthalene-1,8-dicarboxylic acid;CBDivE_012668;SCHEMBL11420001;DTXSID00993504;4,5-Dichloro-1,8-naphthalenedicarboxylic acid

Chemical Property of 4,5-Dichloronaphthalene-1,8-dicarboxylic acid

Chemical Property:

• PSA: 74.60000
• LogP: 3.54300
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.9643141
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)Cl)Cl

Technology Process of 4,5-Dichloronaphthalene-1,8-dicarboxylic acid

There total 12 articles about 4,5-Dichloronaphthalene-1,8-dicarboxylic acid 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:

5,6-dichloroacenaphthene (4208-97-3) → 4,5-dichloro-naphthalene-1,8-dicarboxylic acid (7267-11-0) + 5,6-dichloroacenaphthylene-1,2-dione (38023-75-5)

Guidance literature:

With sodium dichromate; acetic acid;

Reference yield:

5,6-dichloroacenaphthene (4208-97-3) → 4,5-dichloro-naphthalene-1,8-dicarboxylic acid (7267-11-0)

Guidance literature:

Multi-step reaction with 5 steps

1: KBr, KBrO₃, H₂SO₄ / benzene; H₂O / Irradiation

2: KOH / ethanol; benzene

3: Br₂ / CCl₄

4: Cl₂ / benzene

5: Na₂Cr₂O₇ / acetic acid

With potassium bromate; potassium hydroxide; sodium dichromate; sulfuric acid; bromine; chlorine; potassium bromide; In tetrachloromethane; ethanol; water; acetic acid; benzene;

Reference yield:

1-Brom-5,6-dichloracenaphthen (29094-68-6) → 4,5-dichloro-naphthalene-1,8-dicarboxylic acid (7267-11-0)

Guidance literature:

With sodium dichromate; In acetic acid;

upstream raw materials:

5,6-dichloroacenaphthene

1,2-dibromo-5,6-dichloroacenaphthylene

1-Brom-5,6-dichloracenaphthen

1,1,2,2,5,6-hexachloroacenaphthylene

Downstream raw materials:

6,7-dichloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione