Hexachlorobutadiene
TL;DR: Hexachlorobutadiene (CAS 87-68-3) is a chemical compound with molecular formula C4Cl6 and molecular weight 257.8131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,3,4,4-hexachlorobuta-1,3-diene
Also Known As: Hexachlorobutadiene, HEXACHLORO-1,3-BUTADIENE, Perchlorobutadiene, Dolen-pur, HCBD
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4Cl6 |
| Molecular Weight | 257.8131 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.81018 Da |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| Melting Point | -6 °F (NTP, 1992) |
| Boiling Point | 419 °F at 760 mmHg (NTP, 1992) |
| Density | 1.675 at 59.9 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 90 °C |
| Vapor Pressure | 0.15 mmHg at 68 °F ; approximately 0.3 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5542 @ 20 °C/D |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl |
| InChIKey | RWNKSTSCBHKHTB-UHFFFAOYSA-N |
Product Description
Applications: Hexachlorobutadiene is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexachlorobutadiene (CAS 87-68-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hexachlorobutadiene is a polymer intermediate identified by CAS number 87-68-3 and the molecular formula C4Cl6 and a molecular weight of 257.81 g/mol. Physically, the compound has a density of 1.675 at 59.9 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 72 °F (NTP, 1992). It is also known as Hexachlorobutadiene and HEXACHLORO-1,3-BUTADIENE.
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 Hexachlorobutadiene
Property Insights of Hexachlorobutadiene
The XLogP value of 4.8 indicates that Hexachlorobutadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexachlorobutadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachlorobutadiene 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 Hexachlorobutadiene?
The CAS number of Hexachlorobutadiene is 87-68-3.
What is the molecular formula of Hexachlorobutadiene?
The molecular formula of Hexachlorobutadiene is C4Cl6.
What is the molecular weight of Hexachlorobutadiene?
The molecular weight of Hexachlorobutadiene is 257.8131 g/mol.
What are the applications of Hexachlorobutadiene?
Hexachlorobutadiene is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexachlorobutadiene (CAS 87-68-3)...
Where can I buy Hexachlorobutadiene?
You can request a quote for Hexachlorobutadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexachlorobutadiene?
Yes, CoreyChem provides custom synthesis services for Hexachlorobutadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.