2,6-Dichloroterephthalic acid

Base Information

• Chemical Name: 2,6-Dichloroterephthalic acid
• CAS No.: 116802-97-2
• Molecular Formula: C₈H₄Cl₂O₄
• Molecular Weight: 235.023
• DSSTox Substance ID: DTXSID501023260
• Nikkaji Number: J153.088G
• Wikidata: Q83067477
• Mol file: 116802-97-2.mol

Synonyms:2,6-dichloroterephthalic acid;116802-97-2;41906-38-1;2,6-DICHLOROBENZENE-1,4-DICARBOXYLIC ACID;Dichlorobenzenedicarboxylic acid;Benzenedicarboxylic acid, dichloro-;1,4-Benzenedicarboxylic acid, 2,6-dichloro-;2,6-Dichloroterephthalicacid;SCHEMBL543454;LJUJMEBEACINIP-UHFFFAOYSA-N;DTXSID501023260;2,6-dichloro-4-carboxybenzoic acid;2,6-dichlorobenzene-1,4-dioic acid;AKOS005061303;AS-65705;CS-0234789;EN300-147411;Y14609;2,6-Dichloro-1,4-benzenedicarboxylic acid;2,6-Dichloroterephthalic acid

Chemical Property of 2,6-Dichloroterephthalic acid

Chemical Property:

• Melting Point: 290-293°C
• PSA: 74.60000
• LogP: 2.38980
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.9486640
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

95% ^*data from raw suppliers

2,6-Dichloroterephthalic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)C(=O)O
• Uses: 2,6-Dichloroterephthalic Acid, is the derivative of Zoxamide (Z700920), used as a pesticide. It can also b eused for the synthesis of 4-Aminopyridine Benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 Inhibitors.