4,5-Dichlorophthalic acid

Base Information

• Chemical Name: 4,5-Dichlorophthalic acid
• CAS No.: 56962-08-4
• Molecular Formula: C8H4 Cl2 O4
• Molecular Weight: 235.023
• Hs Code.: 2917399090
• European Community (EC) Number: 260-478-3
• DSSTox Substance ID: DTXSID8069149
• Nikkaji Number: J3.822I
• Wikidata: Q81995957
• Mol file: 56962-08-4.mol

Synonyms:4,5-dichlorophthalic acid

Chemical Property of 4,5-Dichlorophthalic acid

Chemical Property:

• Vapor Pressure: 7.05E-08mmHg at 25°C
• Melting Point: 198-200 °C (dec.)(lit.)
• Boiling Point: 422.1°Cat760mmHg
• PKA: 2.35±0.10(Predicted)
• Flash Point: 209.1°C
• PSA: 74.60000
• Density: 1.698g/cm³
• LogP: 2.38980
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.9486640
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,5-Dichlorophthalicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)C(=O)O)C(=O)O

Technology Process of 4,5-Dichlorophthalic acid

There total 13 articles about 4,5-Dichlorophthalic 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:

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 4-chlorophthalic acid (89-20-3) + 4,5-dichlorophthalic acid (56962-08-4)

Guidance literature:

With sodium hydroxide; chlorine;

Reference yield:

water (7732-18-5) + chlorine (7782-50-5) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 4-chlorophthalic acid (89-20-3) + 4,5-dichlorophthalic acid (56962-08-4) + 3,6-dichlorophthalic acid (16110-99-9) + 3,4-dichloro-phthalic acid (56962-06-2)

Guidance literature:

at 45 ℃; zuletzt unter Zusatz von wss. Natronlauge;

Reference yield:

chlorine (7782-50-5) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 4-chlorophthalic acid (89-20-3) + 4,5-dichlorophthalic acid (56962-08-4)

Guidance literature:

DOI:10.1039/jr9290000253

upstream raw materials:

benzene-1,2-dicarboxylic acid

dichloromaleic acid anhydride

2,3-dichlorobuta-1,3-diene

2-Amino-6,7-dichloro-9-oxofluoren-1-carbonsaeure

Downstream raw materials:

4,5-dichloro-phthalic acid monoethyl ester

diethyl 4,5-dichlorophthalate

1,2,4,5-benzenetetracarboxylic acid

1,2,4-benzene tricarboxylic acid

Refernces

• 1、 Yamamoto, Keitaro,Ie, Yutaka,Nitani, Masashi,Tohnai, Norimitsu,Kakiuchi, Fumitoshi,Zhang, Ke,Pisula, Wojciech,Asadi, Kamal,Blom, Paul W. M.,Aso, Yoshio. "Oligothiophene quinoids containing a benzo[: C] thiophene unit for the stabilization of the quinoidal electronic structure". supporting information. p. 7493 - 7500. Retrieved 2018/07/29.