Pentachloroethane
TL;DR: Pentachloroethane (CAS 76-01-7) is a chemical compound with molecular formula C2HCl5 and molecular weight 199.8521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,2-pentachloroethane
Also Known As: PENTACHLOROETHANE, Pentalin, Pentacloroetano, Pentachloraethan, Pentachlorethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HCl5 |
| Molecular Weight | 199.8521 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.84914 Da |
| Heavy Atoms | 7 |
| Complexity | 51.0 |
| Melting Point | -20 °F (NTP, 1992) |
| Boiling Point | 324 °F at 760 mmHg (NTP, 1992) |
| Density | 1.6728 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 3.4 mmHg at 68 °F ; 6 mmHg at 86 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.5025 at 20 °C/D |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C(C(Cl)(Cl)Cl)(Cl)Cl |
| InChIKey | BNIXVQGCZULYKV-UHFFFAOYSA-N |
Product Description
Applications: Pentachloroethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentachloroethane (CAS 76-01-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pentachloroethane (CAS 76-01-7) is a heterocyclic building block with the molecular formula C2HCl5 and a molecular weight of 199.85 g/mol. Key physical properties include a density of 1.6728 at 77 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992). It is also known as PENTACHLOROETHANE and Pentalin.
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 Pentachloroethane
Property Insights of Pentachloroethane
The XLogP value of 3.2 indicates that Pentachloroethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentachloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloroethane 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 Pentachloroethane?
The CAS number of Pentachloroethane is 76-01-7.
What is the molecular formula of Pentachloroethane?
The molecular formula of Pentachloroethane is C2HCl5.
What is the molecular weight of Pentachloroethane?
The molecular weight of Pentachloroethane is 199.8521 g/mol.
What are the applications of Pentachloroethane?
Pentachloroethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentachloroethane (CAS 76-01-7) with...
Where can I buy Pentachloroethane?
You can request a quote for Pentachloroethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentachloroethane?
Yes, CoreyChem provides custom synthesis services for Pentachloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.