Hexachlorocyclopentadiene
TL;DR: Hexachlorocyclopentadiene (CAS 77-47-4) is a chemical compound with molecular formula C5Cl6 and molecular weight 269.8131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
Also Known As: HEXACHLOROCYCLOPENTADIENE, Graphlox, Perchlorocyclopentadiene, Hccpd, Hexachlorcyklopentadien
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5Cl6 |
| Molecular Weight | 269.8131 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.81018 Da |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
| Melting Point | 16 °F (EPA, 1998) |
| Boiling Point | 462 °F at 753 mmHg (EPA, 1998) |
| Density | 1.7019 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | Non-flammable (EPA, 1998) |
| Vapor Pressure | 0.08 mmHg at 77 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.5658 @ 20 °C/D |
| Solubility | less than 0.1 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl |
| InChIKey | VUNCWTMEJYMOOR-UHFFFAOYSA-N |
Product Description
Applications: Hexachlorocyclopentadiene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexachlorocyclopentadiene (CAS 77-47-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, Hexachlorocyclopentadiene (CAS 77-47-4) has the molecular formula C5Cl6 and a molecular weight of 269.81 g/mol. Reported properties include a density of 1.7019 at 77 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 70.7 °F (NTP, 1992). It is also known as HEXACHLOROCYCLOPENTADIENE and Graphlox.
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 Hexachlorocyclopentadiene
Property Insights of Hexachlorocyclopentadiene
The XLogP value of 5.0 indicates that Hexachlorocyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexachlorocyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachlorocyclopentadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexachlorocyclopentadiene?
The CAS number of Hexachlorocyclopentadiene is 77-47-4.
What is the molecular formula of Hexachlorocyclopentadiene?
The molecular formula of Hexachlorocyclopentadiene is C5Cl6.
What is the molecular weight of Hexachlorocyclopentadiene?
The molecular weight of Hexachlorocyclopentadiene is 269.8131 g/mol.
What are the applications of Hexachlorocyclopentadiene?
Hexachlorocyclopentadiene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexachlorocyclopentadiene (CAS 77-47-4) with custom...
Where can I buy Hexachlorocyclopentadiene?
You can request a quote for Hexachlorocyclopentadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexachlorocyclopentadiene?
Yes, CoreyChem provides custom synthesis services for Hexachlorocyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.