六氯环戊二烯
TL;DR: 六氯环戊二烯 (CAS 77-47-4) is a chemical compound with molecular formula C5Cl6 and molecular weight 269.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氯环戊二烯
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
Also Known As: HEXACHLOROCYCLOPENTADIENE, Graphlox, Perchlorocyclopentadiene, Hccpd, Hexachlorcyklopentadien
| Molecular Formula | C5Cl6 |
|---|---|
| Molecular Weight | 269.81 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.81018 |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
| Melting Point | -8.9 °C |
| Boiling Point | 238.9 °C at 753 mmHg |
| Density | 1.7019 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | Non-flammable |
| Vapor Pressure | 0.08 mmHg at 25.0 °C |
| Refractive Index | 1.5658 @ 20 °C |
Chemical Identifiers
| CAS Number | 77-47-4 |
|---|---|
| SMILES | C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl |
| InChIKey | VUNCWTMEJYMOOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氯环戊二烯 (CAS 77-47-4), with molecular formula C5Cl6 and molecular weight 269.81 g/mol. IUPAC: 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene.
Chemical Property Profile of 六氯环戊二烯
Property Insights of 六氯环戊二烯
The XLogP value of 5.0 indicates that 六氯环戊二烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 六氯环戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氯环戊二烯 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 六氯环戊二烯?
The CAS number of 六氯环戊二烯 is 77-47-4.
What is the molecular formula of 六氯环戊二烯?
The molecular formula of 六氯环戊二烯 is C5Cl6.
What is the molecular weight of 六氯环戊二烯?
The molecular weight of 六氯环戊二烯 is 269.81 g/mol.
Where can I buy 六氯环戊二烯?
You can request a quote for 六氯环戊二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氯环戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 六氯环戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.