Petrichloral
TL;DR: Petrichloral (CAS 78-12-6) is a chemical compound with molecular formula C13H16Cl12O8 and molecular weight 719.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[3-(2,2,2-trichloro-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propoxy]ethanol
Also Known As: Petrichloral, Perichlor, Periclor, Petricloral, Petrichloralum
| Molecular Formula | C13H16Cl12O8 |
|---|---|
| Molecular Weight | 719.71 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 725.7019 |
| Heavy Atoms | 33 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 78-12-6 |
|---|---|
| SMILES | C(C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O |
| InChIKey | OKACKALPXHBEMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Petrichloral (CAS 78-12-6), with molecular formula C13H16Cl12O8 and molecular weight 719.71 g/mol. IUPAC: 2,2,2-trichloro-1-[3-(2,2,2-trichloro-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propoxy]ethanol.
Chemical Property Profile of Petrichloral
Property Insights of Petrichloral
The XLogP value of 5.1 indicates that Petrichloral is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Petrichloral. Following Lipinski's Rule of Five, Petrichloral has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Petrichloral?
The CAS number of Petrichloral is 78-12-6.
What is the molecular formula of Petrichloral?
The molecular formula of Petrichloral is C13H16Cl12O8.
What is the molecular weight of Petrichloral?
The molecular weight of Petrichloral is 719.71 g/mol.
Where can I buy Petrichloral?
You can request a quote for Petrichloral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petrichloral?
Yes, KEHONG BIO provides custom synthesis services for Petrichloral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.