Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate

Base Information

• Chemical Name: Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate
• CAS No.: 5358-06-5
• Deprecated CAS: 790240-51-6
• Molecular Formula: C9H3Cl4NO2
• Molecular Weight: 298.94
• Hs Code.: 2926909090
• European Community (EC) Number: 226-344-3
• UNII: 1EN403O0KH
• DSSTox Substance ID: DTXSID0063814
• Nikkaji Number: J33.496K
• Wikidata: Q27252330
• Mol file: 5358-06-5.mol

Synonyms:Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate;5358-06-5;1EN403O0KH;Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester;methyl 2,3,4,5-terachloro-6-cyanobenzoate;methyl 3,4,5,6-tetrachloro-2-cyanobenzoate;UNII-1EN403O0KH;SCHEMBL4098199;DTXSID0063814;EINECS 226-344-3;METHYL TETRACHLORO-O-CYANOBENZOATE;METHYL 3,4,5,6-TETRACHLOROCYANOBENZOATE;METHYL 2-CYANO-3,4,5,6-TETRACHLOROBENZOATE;2,3,4,5-Tetrachloro-6-cyanobenzoic acid methyl ester;3,4,5,6-tetrachloro-2-cyanobenzoic acid methyl ester;Q27252330

Chemical Property of Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate

Chemical Property:

• Vapor Pressure: 1.98E-06mmHg at 25°C
• Melting Point: 83-84 °C
• Refractive Index: 1.599
• Boiling Point: 394.4°C at 760 mmHg
• Flash Point: 192.3°C
• PSA: 50.09000
• Density: 1.65g/cm³
• LogP: 3.95848
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 298.888839
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N

Technology Process of Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate

There total 4 articles about Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate 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: 93.0%

→ 3,4,5,6-tetrachloro-2-cyanobenzoic acid methyl ester (5358-06-5,790240-51-6)

Guidance literature:

Reference yield:

3,4,5,6-tetrachloro-2-cyanobenzoic acid potassium salt → 3,4,5,6-tetrachloro-2-cyanobenzoic acid methyl ester (5358-06-5,790240-51-6)

Guidance literature:

With potassium hydroxide; dimethyl sulfate; In water; butanone;

Reference yield:

3,4,5,6-tetrachloro-2-cyanobenzoic acid potassium salt + methyl iodide (74-88-4) → 3,4,5,6-tetrachloro-2-cyanobenzoic acid methyl ester (5358-06-5,790240-51-6)

Guidance literature:

In ethanol; water; butanone;

upstream raw materials:

methyl iodide

3,4,5,6-tetrachloro-2-cyano-benzoic acid ammonium salt

dimethyl sulfate

Downstream raw materials:

pigment orange-61

Pigment Yellow 109

Pigment Yellow 110

Refernces

• 1、 -. "Process for the preparation of alkyl esters of tetrachloro-2-cyano-benzoic acid". . . Retrieved 2008/06/13.