1,3-Dibromobutane
TL;DR: 1,3-Dibromobutane (CAS 107-80-2) is a chemical compound with molecular formula C4H8Br2 and molecular weight 213.89928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibromobutane
Also Known As: 1,3-DIBROMOBUTANE, Butane, 1,3-dibromo-, 1,3 dibromobutane, 1,3-Butylene Bromide, 1,3-dibrombutan
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Br2 |
| Molecular Weight | 213.89928 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.89723 Da |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| SMILES | CC(CCBr)Br |
| InChIKey | XZNGUVQDFJHPLU-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dibromobutane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Dibromobutane (CAS 107-80-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,3-Dibromobutane is a pharmaceutical intermediate identified by CAS number 107-80-2 and the molecular formula C4H8Br2 and a molecular weight of 213.9 g/mol. It is also known as 1,3-DIBROMOBUTANE and Butane, 1,3-dibromo-.
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 1,3-Dibromobutane
Property Insights of 1,3-Dibromobutane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibromobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dibromobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromobutane 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 1,3-Dibromobutane?
The CAS number of 1,3-Dibromobutane is 107-80-2.
What is the molecular formula of 1,3-Dibromobutane?
The molecular formula of 1,3-Dibromobutane is C4H8Br2.
What is the molecular weight of 1,3-Dibromobutane?
The molecular weight of 1,3-Dibromobutane is 213.89928 g/mol.
What are the applications of 1,3-Dibromobutane?
1,3-Dibromobutane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Dibromobutane (CAS 107-80-2) with...
Where can I buy 1,3-Dibromobutane?
You can request a quote for 1,3-Dibromobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dibromobutane?
Yes, CoreyChem provides custom synthesis services for 1,3-Dibromobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.