Pentachlorobenzoic acid
TL;DR: Pentachlorobenzoic acid (CAS 1012-84-6) is a chemical compound with molecular formula C7HCl5O2 and molecular weight 291.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C7HCl5O2 |
|---|---|
| Molecular Weight | 291.84 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.83896 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1012-84-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | IONYGGJUUJFXJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorobenzoic acid (CAS 1012-84-6), with molecular formula C7HCl5O2 and molecular weight 291.84 g/mol. IUPAC: 2,3,4,5,6-pentachlorobenzoic acid.
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
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 291.84 g/mol.
Where can I buy Pentachlorobenzoic acid?
You can request a quote for Pentachlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.