Chlorthal

Base Information

• Chemical Name: Chlorthal
• CAS No.: 2136-79-0
• Molecular Formula: C8H2 Cl4 O4
• Molecular Weight: 303.913
• Hs Code.: 2917399013
• European Community (EC) Number: 678-503-5
• NSC Number: 12443
• UNII: 96C2WU8832
• DSSTox Substance ID: DTXSID3039400
• Nikkaji Number: J7.333D
• Wikidata: Q27271895
• Metabolomics Workbench ID: 43942
• Mol file: 2136-79-0.mol

Synonyms:Chlorthal;2136-79-0;2,3,5,6-TETRACHLOROTEREPHTHALIC ACID;Tetrachloroterephthalic acid;1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-;Chlorthal [ISO];Perchloroterephthalic acid;Terephthalic acid, tetrachloro-;Chlorthal (VAN);2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid;2,3,5,6-tetrachlorobenzene-1,4-dicarboxylic acid;Caswell No. 833A;2,3,5,6-Tetrachloro-1,4-dicarboxylic acid;NSC 12443;NSC-12443;96C2WU8832;BRN 1887098;AI3-33410;CHLORTHAL-DIACID;Dacthal diacid;tetrachlorobenzene-1,4-dicarboxylic acid;tetrachloro-terephthalic acid;SCHEMBL70425;YSWG374;Chlorthal, BSI, ISO, WSSA;DTXSID3039400;UNII-96C2WU8832;CHEBI:179164;2,5,6-Tetrachloroterephthalic acid;AMY18034;NSC12443;MFCD00013974;STK981653;AKOS002384106;Terephthalic acid, tetrachloro- (8CI);AC-19870;LS-29791;CS-0081470;FT-0602966;SR-01000004797;SR-01000004797-1;Q27271895;2,3,5,6-Tetrachloro-1,4-dicarboxylic acid/AEI feminineEa

Chemical Property of Chlorthal

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 5.48E-08mmHg at 25°C
• Melting Point: 330 °C (decomp)(Solv: acetic acid (64-19-7))
• Boiling Point: 425.2 °C at 760 mmHg
• PKA: 0.00±0.32(Predicted)
• Flash Point: 210.9 °C
• PSA: 74.60000
• Density: 1.872g/cm³
• LogP: 3.69660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 303.867769
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-TetrachloroterephthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O
• Uses: 2,3,5,6-Tetrachloroterephthalic Acid is a pest control chemical and plant growth regulator.

Technology Process of Chlorthal

There total 10 articles about Chlorthal 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: 97.0%

2,3,5,6-tetrachloro-1,4-benzenecarboxamide (1786-85-2) → Dactal (2136-79-0)

Guidance literature:

With sulfuric acid;

Reference yield: 97.0%

2,3,5,6-tetrachloroterephthalonitrile (1897-41-2) → Dactal (2136-79-0)

Guidance literature:

With sulfuric acid;

Reference yield: 87.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + carbon dioxide (124-38-9,18923-20-1) → Dactal (2136-79-0)

Guidance literature:

carbon dioxide; With AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.25h; under 1125.11 Torr;

1,2,4,5-tetrachlorobenzene; In tetrahydrofuran; at 20 ℃; for 12h; under 1125.11 Torr;

With hydrogenchloride; In tetrahydrofuran; water; regioselective reaction;

DOI:10.1021/ja103429q

upstream raw materials:

tetrachloroterephthaloyl dichloride

terephthalic acid

2,3,5,6-tetrachloro-4-methyl-benzoic acid

sulfuric acid

Downstream raw materials:

Dacthal

methyl tetrachlorophthalate

tetrachloroterephthaloyl dichloride

Refernces

• 1、 -. "2, 3, 5, 6 - Tetrachloro - 1, 4 - benzenedicarboxylic acid dimethyl manufacturing method". Paragraph 0051-0052. . Retrieved 2021/04/29.
• 2、 Boogaerts, Ine I. F.,Nolan, Steven P.. "Carboxylation of C-H bonds using N -heterocyclic carbene gold(I) complexes". supporting information; experimental part. p. 8858 - 8859. Retrieved 2010/08/21.