1-Bromo-4-fluorobutane
TL;DR: 1-Bromo-4-fluorobutane (CAS 462-72-6) is a chemical compound with molecular formula C4H8BrF and molecular weight 153.97934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-fluorobutane
Also Known As: 1-Bromo-4-fluorobutane, 4-Fluorobutyl bromide, fluorobutyl bromide, 1-bromo-4-fluoro-butane, 4-fluoro-1-bromobutane
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8BrF |
| Molecular Weight | 153.97934 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.97934 Da |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
| SMILES | C(CCBr)CF |
| InChIKey | WMCUHRDQSHQNRW-UHFFFAOYSA-N |
Product Description
Applications: 1-Bromo-4-fluorobutane 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-Bromo-4-fluorobutane (CAS 462-72-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Bromo-4-fluorobutane is a pharmaceutical intermediate identified by CAS number 462-72-6 and the molecular formula C4H8BrF and a molecular weight of 153.98 g/mol. It is also known as 1-Bromo-4-fluorobutane and 4-Fluorobutyl bromide.
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-Bromo-4-fluorobutane
Property Insights of 1-Bromo-4-fluorobutane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-fluorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-fluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-fluorobutane has 0 hydrogen bond donor(s) and 1 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-Bromo-4-fluorobutane?
The CAS number of 1-Bromo-4-fluorobutane is 462-72-6.
What is the molecular formula of 1-Bromo-4-fluorobutane?
The molecular formula of 1-Bromo-4-fluorobutane is C4H8BrF.
What is the molecular weight of 1-Bromo-4-fluorobutane?
The molecular weight of 1-Bromo-4-fluorobutane is 153.97934 g/mol.
What are the applications of 1-Bromo-4-fluorobutane?
1-Bromo-4-fluorobutane 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-Bromo-4-fluorobutane (CAS...
Where can I buy 1-Bromo-4-fluorobutane?
You can request a quote for 1-Bromo-4-fluorobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-4-fluorobutane?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-4-fluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.