4,5-Dichlorophthalic anhydride

Base Information

• Chemical Name: 4,5-Dichlorophthalic anhydride
• CAS No.: 942-06-3
• Molecular Formula: C8H2Cl2O3
• Molecular Weight: 217.008
• Hs Code.: 29173995
• European Community (EC) Number: 213-386-2
• DSSTox Substance ID: DTXSID10240970
• Nikkaji Number: J153.003H
• Wikidata: Q83124187
• ChEMBL ID: CHEMBL2270552
• Mol file: 942-06-3.mol

Synonyms:4,5-Dichlorophthalic anhydride;942-06-3;5,6-dichloroisobenzofuran-1,3-dione;5,6-Dichloro-2-benzofuran-1,3-dione;4,5-Dichlorophthalicanhydride;1,3-Isobenzofurandione, 5,6-dichloro-;C8H2Cl2O3;MFCD00075034;EINECS 213-386-2;5,6-Dichloro-1,3-Dihydro-2-Benzofuran-1,3-Dione;SCHEMBL79833;4.5-dichlorophthalic anhydride;CHEMBL2270552;DTXSID10240970;Phthalic anhydride, 4,5-dichloro-;4,5-Dichlorophthalic Acid, Anhydride;4,5-Dichlorophthalic anhydride, 98%;AKOS000281368;AC-25988;AS-42975;SY051009;5,6-Dichloro-2-benzofuran-1,3-dione #;CS-0109872;D2335;FT-0617174;EN300-60238;A19946

Chemical Property of 4,5-Dichlorophthalic anhydride

Chemical Property:

• Appearance/Colour: Light grey to pale blue powder
• Vapor Pressure: 0.00051mmHg at 25°C
• Melting Point: 185-187 °C(lit.)
• Refractive Index: 1.638
• Boiling Point: 313 °C at 760 mmHg
• Flash Point: 144.8 °C
• PSA: 43.37000
• Density: 1.715 g/cm³
• LogP: 2.30400
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.9380993
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

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

4,5-Dichlorophthalic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)OC2=O

Technology Process of 4,5-Dichlorophthalic anhydride

There total 8 articles about 4,5-Dichlorophthalic anhydride 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%

4,5-dichlorophthalic acid (56962-08-4) → 4,5-dichlorophthalic anhydride (942-06-3)

Guidance literature:

With acetyl chloride; for 2h; Reflux;

DOI:10.1016/j.bmc.2016.02.015

Reference yield: 99.6%

4,5-dichlorotetrahydrophthalic anhydride + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 4,5-dichlorophthalic anhydride (942-06-3)

Guidance literature:

Reference yield:

phthalic anhydride (85-44-9) → 4-chlorophthalic anhydride (118-45-6) + 3-chlorophthalic anhydride (117-21-5) + 4,5-dichlorophthalic anhydride (942-06-3) + 4,6-dichloroisobenzofuran-1,3-diketone (51971-64-3)

Guidance literature:

With chlorine; at 390 ℃; Product distribution; var. temp, var. conc. of Cl₂;

DOI:10.1021/jo00163a005

upstream raw materials:

4,5-dichlorophthalic acid

benzene-1,2-dicarboxylic acid

phthalic anhydride

sulfuric acid

Downstream raw materials:

2-(2-theonyl)-4,5-dichlorobenzoic acid

1-acetoxy-3,4,6-tri-O-acetyl-2-deoxy-2-(4,5-dichlorophthalimido)-β-D-glucopyranoside

4,5-dichlorophthalimide

N-(p-methoxyphenyl)-4,5-dichlorophthalimide

Refernces

• 1、 Rashed, Md. N.,Siddiki,Ali, Md. A.,Moromi, Sondomoyee K.,Touchy, Abeda S.,Kon, Kenichi,Toyao, Takashi,Shimizu, Ken-Ichi. "Heterogeneous catalysts for the cyclization of dicarboxylic acids to cyclic anhydrides as monomers for bioplastic production". . p. 3238 - 3242. Retrieved 2017/07/28.
• 2、 Zhang, Jing,Li, Yang,Xu, Ruoyu,Chen, Yiyun. "Donor–Acceptor Complex Enables Alkoxyl Radical Generation for Metal-Free C(sp3)–C(sp3) Cleavage and Allylation/Alkenylation". supporting information. p. 12619 - 12623. Retrieved 2017/09/11.