六氯丁二烯
TL;DR: 六氯丁二烯 (CAS 87-68-3) is a chemical compound with molecular formula C4Cl6 and molecular weight 257.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氯丁二烯
1,1,2,3,4,4-hexachlorobuta-1,3-diene
Also Known As: Hexachlorobutadiene, HEXACHLORO-1,3-BUTADIENE, Perchlorobutadiene, Dolen-pur, HCBD
| Molecular Formula | C4Cl6 |
|---|---|
| Molecular Weight | 257.81 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.81018 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| Melting Point | -21.1 °C |
| Boiling Point | 215.0 °C at 760 mmHg |
| Density | 1.675 at 15.5 °C |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 90 °C |
| Vapor Pressure | 0.15 mmHg at 20.0 °C ; approximately 0.3 mmHg at 25.0 °C |
| Refractive Index | 1.5542 @ 20 °C |
Chemical Identifiers
| CAS Number | 87-68-3 |
|---|---|
| SMILES | C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl |
| InChIKey | RWNKSTSCBHKHTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氯丁二烯 (CAS 87-68-3), with molecular formula C4Cl6 and molecular weight 257.81 g/mol. IUPAC: 1,1,2,3,4,4-hexachlorobuta-1,3-diene.
Chemical Property Profile of 六氯丁二烯
Property Insights of 六氯丁二烯
The XLogP value of 4.8 indicates that 六氯丁二烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 六氯丁二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氯丁二烯 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 六氯丁二烯?
The CAS number of 六氯丁二烯 is 87-68-3.
What is the molecular formula of 六氯丁二烯?
The molecular formula of 六氯丁二烯 is C4Cl6.
What is the molecular weight of 六氯丁二烯?
The molecular weight of 六氯丁二烯 is 257.81 g/mol.
Where can I buy 六氯丁二烯?
You can request a quote for 六氯丁二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氯丁二烯?
Yes, KEHONG BIO provides custom synthesis services for 六氯丁二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.