五氯乙烷
TL;DR: 五氯乙烷 (CAS 76-01-7) is a chemical compound with molecular formula C2HCl5 and molecular weight 199.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯乙烷
1,1,1,2,2-pentachloroethane
Also Known As: PENTACHLOROETHANE, Pentalin, Pentacloroetano, Pentachloraethan, Pentachlorethane
| Molecular Formula | C2HCl5 |
|---|---|
| Molecular Weight | 199.85 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.84914 |
| Heavy Atoms | 7 |
| Complexity | 51.0 |
| Melting Point | -28.9 °C |
| Boiling Point | 162.2 °C at 760 mmHg |
| Density | 1.6728 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 3.4 mmHg at 20.0 °C ; 6 mmHg at 30.0 °C |
| Refractive Index | = 1.5025 at 20 °C |
Chemical Identifiers
| CAS Number | 76-01-7 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)(Cl)Cl |
| InChIKey | BNIXVQGCZULYKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氯乙烷 (CAS 76-01-7), with molecular formula C2HCl5 and molecular weight 199.85 g/mol. IUPAC: 1,1,1,2,2-pentachloroethane.
Chemical Property Profile of 五氯乙烷
Property Insights of 五氯乙烷
The XLogP value of 3.2 indicates that 五氯乙烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 五氯乙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氯乙烷 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
Frequently Asked Questions
What is the CAS number of 五氯乙烷?
The CAS number of 五氯乙烷 is 76-01-7.
What is the molecular formula of 五氯乙烷?
The molecular formula of 五氯乙烷 is C2HCl5.
What is the molecular weight of 五氯乙烷?
The molecular weight of 五氯乙烷 is 199.85 g/mol.
Where can I buy 五氯乙烷?
You can request a quote for 五氯乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯乙烷?
Yes, KEHONG BIO provides custom synthesis services for 五氯乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.