Hexachlorophene
TL;DR: Hexachlorophene (CAS 70-30-4) is a chemical compound with molecular formula C13H6Cl6O2 and molecular weight 403.84988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Also Known As: hexachlorophene, Hexachlorofen, Hexachlorophen, Nabac, pHisoHex
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H6Cl6O2 |
| Molecular Weight | 403.84988 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.84695 Da |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
| Melting Point | 322 to 333 °F (NTP, 1992) |
| Boiling Point | 479 |
| Flash Point | 115 °F (Tag closed cup) /Isobac/ |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
| InChIKey | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
Product Description
Applications: Hexachlorophene is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Hexachlorophene (CAS 70-30-4) is a pharmaceutical intermediate with the molecular formula C13H6Cl6O2 and a molecular weight of 403.85 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). Synonyms include hexachlorophene and Hexachlorofen.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hexachlorophene
Property Insights of Hexachlorophene
The XLogP value of 7.5 indicates that Hexachlorophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hexachlorophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachlorophene has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexachlorophene?
The CAS number of Hexachlorophene is 70-30-4.
What is the molecular formula of Hexachlorophene?
The molecular formula of Hexachlorophene is C13H6Cl6O2.
What is the molecular weight of Hexachlorophene?
The molecular weight of Hexachlorophene is 403.84988 g/mol.
What are the applications of Hexachlorophene?
Hexachlorophene is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy Hexachlorophene?
You can request a quote for Hexachlorophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexachlorophene?
Yes, CoreyChem provides custom synthesis services for Hexachlorophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.