Pentachlorobenzoic acid
TL;DR: Pentachlorobenzoic acid (CAS 1012-84-6) is a chemical compound with molecular formula C7HCl5O2 and molecular weight 291.84192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5,6-pentachlorobenzoic acid
Also Known As: Pentachlorobenzoic acid, Perchlorobenzoic acid, 2,3,4,5,6-Pentachlorobenzoic acid, 2,3,4,5,6-pentachloro-benzoic acid, C7HCl5O2
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7HCl5O2 |
| Molecular Weight | 291.84192 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.83896 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | IONYGGJUUJFXJK-UHFFFAOYSA-N |
Chemical Property Profile of Pentachlorobenzoic acid
Property Insights of Pentachlorobenzoic acid
The XLogP value of 4.6 indicates that Pentachlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Pentachlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorobenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentachlorobenzoic acid?
The CAS number of Pentachlorobenzoic acid is 1012-84-6.
What is the molecular formula of Pentachlorobenzoic acid?
The molecular formula of Pentachlorobenzoic acid is C7HCl5O2.
What is the molecular weight of Pentachlorobenzoic acid?
The molecular weight of Pentachlorobenzoic acid is 291.84192 g/mol.
Where can I buy Pentachlorobenzoic acid?
You can request a quote for Pentachlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentachlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for Pentachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.