Tetrachlorophthalic anhydride

Base Information

• Chemical Name: Tetrachlorophthalic anhydride
• CAS No.: 117-08-8
• Deprecated CAS: 204975-24-6,858829-10-4,858829-10-4
• Molecular Formula: C8Cl4O3
• Molecular Weight: 285.898
• Hs Code.: 29173990
• European Community (EC) Number: 204-171-4
• ICSC Number: 1374
• NSC Number: 1484
• UN Number: 3077
• UNII: 76GLW0LBEK
• DSSTox Substance ID: DTXSID7026102
• Nikkaji Number: J5.284A
• Wikidata: Q21045245
• Metabolomics Workbench ID: 60401
• ChEMBL ID: CHEMBL1567912
• Mol file: 117-08-8.mol

Synonyms:tetrachlorophthalic anhydride

Chemical Property of Tetrachlorophthalic anhydride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.16 mm Hg ( 145 °C)
• Melting Point: 253-257 °C(lit.)
• Refractive Index: 1.656
• Boiling Point: 371 °C at 760 mmHg
• PKA: 3.01[at 20 ℃]
• Flash Point: 161.6 °C
• PSA: 43.37000
• Density: 1.49 g/cm³
• LogP: 3.61080
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly, Heated), DMSO (Heated), Methanol (Slightly, Heated)
• Water Solubility.: 0.8 mg/L (21 ºC)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 285.857205
• Heavy Atom Count: 15
• Complexity: 291
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Tetrachlorophthalic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xn
• Hazard Codes: T,N,Xn
• Statements: 45-41-42/43-50/53-48/22
• Safety Statements: 53-22-24-26-37/39-45-60-61-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Acid Anhydrides, Cyclic
• Canonical SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
• Uses: Intermediate in dyes, pharmaceuticals, plasticizers, and other organic materials; flame-retardant in epoxy resins. Tetrachlorophthalic Anhydride is used in the synthesis of nucleoside analogues with a specific structure as apoptosis inducing active compounds. Also used in the synthesis of carbonic anhydrase inhbitors. Chlorinated Reactive Flame Retardant Intermediate

Technology Process of Tetrachlorophthalic anhydride

There total 25 articles about Tetrachlorophthalic 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: 91.0%

3,4,5,6-Tetrachlorphthalsaeure-bis(4-chlorphenyl)ester (84333-99-3) → tetrachlorophthalic anhydride (117-08-8)

Guidance literature:

With sulfuric acid; at 140 ℃; for 1h;

Reference yield: 90.0%

phthalic anhydride (85-44-9) → tetrachlorophthalic anhydride (117-08-8)

Guidance literature:

With chlorine; cast iron;

Reference yield:

tetrachlorophtalic anhydride-hexamethylbenzene (3178-31-2) → Hexamethylbenzene (87-85-4) + tetrachlorophthalic anhydride (117-08-8)

Guidance literature:

In tetrachloromethane; at 26 ℃; Equilibrium constant; Thermodynamic data; ΔH;

upstream raw materials:

phthalic anhydride

naphthalene

tetrachlorophthalic acid

tetrachloro-NN-diethylphthalamic acid

Downstream raw materials:

2,3,4,5-tetrachloro-6-(methoxycarbonyl) benzoic zcid

tetrachloro-phthalic acid dipropyl ester

tetrachloro-phthalic acid monopropyl ester

3-Benzylidene-4,5,6,7-tetrachlorophthalide