Chlorthal
TL;DR: Chlorthal (CAS 2136-79-0) is a chemical compound with molecular formula C8H2Cl4O4 and molecular weight 301.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrachloroterephthalic acid
Also Known As: Chlorthal, Tetrachloroterephthalic acid, 2,3,5,6-TETRACHLOROTEREPHTHALIC ACID, Chlorthal [ISO], Chlorthal (VAN)
| Molecular Formula | C8H2Cl4O4 |
|---|---|
| Molecular Weight | 301.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.86777 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| Melting Point | 343 - 345 °C |
Chemical Identifiers
| CAS Number | 2136-79-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O |
| InChIKey | KZCBXHSWMMIEQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorthal (CAS 2136-79-0), with molecular formula C8H2Cl4O4 and molecular weight 301.87 g/mol. IUPAC: 2,3,5,6-tetrachloroterephthalic acid.
Chemical Property Profile of Chlorthal
Property Insights of Chlorthal
The XLogP value of 3.7 indicates that Chlorthal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorthal. Following Lipinski's Rule of Five, Chlorthal has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorthal?
The CAS number of Chlorthal is 2136-79-0.
What is the molecular formula of Chlorthal?
The molecular formula of Chlorthal is C8H2Cl4O4.
What is the molecular weight of Chlorthal?
The molecular weight of Chlorthal is 301.87 g/mol.
Where can I buy Chlorthal?
You can request a quote for Chlorthal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorthal?
Yes, KEHONG BIO provides custom synthesis services for Chlorthal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.