Hexachloroethane
TL;DR: Hexachloroethane (CAS 67-72-1) is a chemical compound with molecular formula C2Cl6 and molecular weight 233.81311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,2,2-hexachloroethane
Also Known As: HEXACHLOROETHANE, Perchloroethane, Avlothane, Mottenhexe, Fasciolin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2Cl6 |
| Molecular Weight | 233.81311 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.81017 Da |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
| Melting Point | Sublimes (NTP, 1992) |
| Boiling Point | 368.2 °F at 760 mmHg (Sublimes) (NTP, 1992) |
| Density | 2.091 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 0.4 mmHg at 68 °F ; 0.8 mmHg at 86 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl |
| InChIKey | VHHHONWQHHHLTI-UHFFFAOYSA-N |
Product Description
Applications: Hexachloroethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. 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).
Hexachloroethane (CAS 67-72-1) is a heterocyclic building block with the molecular formula C2Cl6 and a molecular weight of 233.81 g/mol. Key physical properties include a density of 2.091 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). Synonyms include HEXACHLOROETHANE and Perchloroethane.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hexachloroethane
Property Insights of Hexachloroethane
The XLogP value of 4.1 indicates that Hexachloroethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexachloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachloroethane 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 Hexachloroethane?
The CAS number of Hexachloroethane is 67-72-1.
What is the molecular formula of Hexachloroethane?
The molecular formula of Hexachloroethane is C2Cl6.
What is the molecular weight of Hexachloroethane?
The molecular weight of Hexachloroethane is 233.81311 g/mol.
What are the applications of Hexachloroethane?
Hexachloroethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Hexachloroethane?
You can request a quote for Hexachloroethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexachloroethane?
Yes, CoreyChem provides custom synthesis services for Hexachloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.