1,4-Dichlorobutane
TL;DR: 1,4-Dichlorobutane (CAS 110-56-5) is a chemical compound with molecular formula C4H8Cl2 and molecular weight 126.000305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichlorobutane
Also Known As: 1,4-DICHLOROBUTANE, Butane, 1,4-dichloro-, Tetramethylene chloride, Tetramethylene dichloride, Butane,4-dichloro-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Cl2 |
| Molecular Weight | 126.000305 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.000305 Da |
| Heavy Atoms | 6 |
| Complexity | 17.0 |
| Melting Point | -35.1 °F (NTP, 1992) |
| Boiling Point | 309 °F at 760 mmHg (NTP, 1992) |
| Density | 1.1408 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 104 °F (NTP, 1992) |
| Vapor Pressure | 4 mmHg at 68 °F (NTP, 1992) |
| SMILES | C(CCCl)CCl |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Dichlorobutane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,4-Dichlorobutane (CAS 110-56-5) is a polymer intermediate with the molecular formula C4H8Cl2 and a molecular weight of 126 g/mol. Key physical properties include a density of 1.1408 (NTP, 1992) - Denser than water; will sink g/cm³. Synonyms include 1,4-DICHLOROBUTANE and Butane, 1,4-dichloro-.
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 1,4-Dichlorobutane
Property Insights of 1,4-Dichlorobutane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichlorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobutane 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 1,4-Dichlorobutane?
The CAS number of 1,4-Dichlorobutane is 110-56-5.
What is the molecular formula of 1,4-Dichlorobutane?
The molecular formula of 1,4-Dichlorobutane is C4H8Cl2.
What is the molecular weight of 1,4-Dichlorobutane?
The molecular weight of 1,4-Dichlorobutane is 126.000305 g/mol.
What are the applications of 1,4-Dichlorobutane?
1,4-Dichlorobutane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,4-Dichlorobutane?
You can request a quote for 1,4-Dichlorobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dichlorobutane?
Yes, CoreyChem provides custom synthesis services for 1,4-Dichlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.