Chlorthal-dimethyl

Base Information

• Chemical Name: Chlorthal-dimethyl
• CAS No.: 1861-32-1
• Deprecated CAS: 65862-98-8,87209-56-1,87209-56-1
• Molecular Formula: C10H6Cl4O4
• Molecular Weight: 331.967
• Hs Code.: 29173990
• European Community (EC) Number: 217-464-7
• NSC Number: 155745
• UNII: ZU3X5G2QLR
• DSSTox Substance ID: DTXSID0024000
• Nikkaji Number: J1.785J
• Wikipedia: Dimethyl_tetrachloroterephthalate
• Wikidata: Q5277322
• ChEMBL ID: CHEMBL1888079
• Mol file: 1861-32-1.mol

Synonyms:Dacthal;DCPA;dimethyl 2,3,5,6-tetrachloro-terephthalate;dimethyl 2,3,5,6-tetrachloroterephthalate

Chemical Property of Chlorthal-dimethyl

Chemical Property:

• Appearance/Colour: Colorless, crystalline solid.
• Vapor Pressure: 2.5E-07mmHg at 25°C
• Melting Point: 155-156 °C
• Refractive Index: 1.564
• Boiling Point: 421.993 °C at 760 mmHg
• Flash Point: 174.664 °C
• PSA: 52.60000
• Density: 1.558 g/cm³
• LogP: 3.87340
• Storage Temp.: -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 0.05 g/100 mL
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 331.899069
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Dacthal ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl
• Uses: Pre-emergent herbicide. Selective, nonsystemic, preemergent herbicide to control most annual grasses and many broad-leaved weeds. Dacthal is used as a preemergent herbicide.

Technology Process of Chlorthal-dimethyl

There total 16 articles about Chlorthal-dimethyl 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: 99.0%

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) → Dacthal (1861-32-1)

Guidance literature:

With hypochlorous anhydride; trifluorormethanesulfonic acid; In tetrachloromethane;

DOI:10.1021/ja00381a032

Reference yield: 98.0%

methanol (67-56-1) + tetrachloroterephthaloyl dichloride (719-32-4) → Dacthal (1861-32-1)

Guidance literature:

tetrachloroterephthaloyl dichloride; With potassium fluoride; In sulfolane; at 100 - 150 ℃; for 4h;

methanol; In sulfolane; at 20 ℃; for 1h;

Reference yield: 1.0%

methanol (67-56-1) + tetrachloroterephthaloyl dichloride (719-32-4) → dimethyl 2-fluoro-3,5,6-trichloroterephthalate (940951-33-7) + Dacthal (1861-32-1)

Guidance literature:

tetrachloroterephthaloyl dichloride; With potassium fluoride; In sulfolane; at 100 - 150 ℃; for 4h;

methanol; In sulfolane; at 20 ℃; for 1h; Product distribution / selectivity;

upstream raw materials:

methanol

tetrachloroterephthaloyl dichloride

1,4-benzenedicarboxylic acid dimethyl ester

N-(4-methoxycarbonyl)-2,3,5,6-tetrachlorobenzoyl chloride

Downstream raw materials:

2,3,5,6-Tetrachloroxylylene-α,α'-diol

dimethyl 2,3,5,6-tetrafluoroterephthalate

Refernces

• 1、 -. "ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME". Page/Page column 9. . Retrieved 2011/05/16.
• 2、 -. "METHOD FOR PRODUCING TETRAFLUOROTEREPHTHALIC ACID DIFLUORIDE". Page/Page column 7. . Retrieved 2008/12/08.