四氯邻苯二甲酸
TL;DR: 四氯邻苯二甲酸 (CAS 632-58-6) 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.
四氯邻苯二甲酸
3,4,5,6-tetrachlorophthalic acid
Also Known As: TETRACHLOROPHTHALIC ACID, 3,4,5,6-Tetrachlorophthalic acid, Phthalic acid, perchloro-, Phthalic acid, tetrachloro-, Tetrachlorophthalicacid
| Molecular Formula | C8H2Cl4O4 |
|---|---|
| Molecular Weight | 301.87 g/mol |
| LogP | 3.5 |
| 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 | 280.0 |
| Melting Point | 97.8 °C |
| Solubility | Sparingly soluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 632-58-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | WZHHYIOUKQNLQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氯邻苯二甲酸 (CAS 632-58-6), with molecular formula C8H2Cl4O4 and molecular weight 301.87 g/mol. IUPAC: 3,4,5,6-tetrachlorophthalic acid.
Chemical Property Profile of 四氯邻苯二甲酸
Property Insights of 四氯邻苯二甲酸
The XLogP value of 3.5 indicates that 四氯邻苯二甲酸 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 四氯邻苯二甲酸. Following Lipinski's Rule of Five, 四氯邻苯二甲酸 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 四氯邻苯二甲酸?
The CAS number of 四氯邻苯二甲酸 is 632-58-6.
What is the molecular formula of 四氯邻苯二甲酸?
The molecular formula of 四氯邻苯二甲酸 is C8H2Cl4O4.
What is the molecular weight of 四氯邻苯二甲酸?
The molecular weight of 四氯邻苯二甲酸 is 301.87 g/mol.
Where can I buy 四氯邻苯二甲酸?
You can request a quote for 四氯邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氯邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 四氯邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.