2-Bromobutane
TL;DR: 2-Bromobutane (CAS 78-76-2) is a chemical compound with molecular formula C4H9Br and molecular weight 135.98875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromobutane
Also Known As: 2-Bromobutane, SEC-BUTYL BROMIDE, Butane, 2-bromo-, 2-Butyl bromide, Methylethylbromomethane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9Br |
| Molecular Weight | 135.98875 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.98875 Da |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Melting Point | -169.4 °F (USCG, 1999) |
| Boiling Point | 196.5 °F at 760 mmHg (USCG, 1999) |
| Density | 1.258 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 70 °F (USCG, 1999) |
| Vapor Pressure | 57.0 [mmHg] |
| Refractive Index | Index of refraction = 1.4344 at 25 °C/D /dl-form/ |
| Solubility | Soluble in alcohol and ether; insoluble in water. |
| SMILES | CCC(C)Br |
| InChIKey | UPSXAPQYNGXVBF-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromobutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Bromobutane (CAS 78-76-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Bromobutane (CAS 78-76-2) has the molecular formula C4H9Br and a molecular weight of 135.99 g/mol. Reported properties include a density of 1.258 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Soluble in alcohol and ether; insoluble in water. It is also known as 2-Bromobutane and SEC-BUTYL 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 2-Bromobutane
Property Insights of 2-Bromobutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobutane 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 2-Bromobutane?
The CAS number of 2-Bromobutane is 78-76-2.
What is the molecular formula of 2-Bromobutane?
The molecular formula of 2-Bromobutane is C4H9Br.
What is the molecular weight of 2-Bromobutane?
The molecular weight of 2-Bromobutane is 135.98875 g/mol.
What are the applications of 2-Bromobutane?
2-Bromobutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Bromobutane (CAS 78-76-2) with custom...
Where can I buy 2-Bromobutane?
You can request a quote for 2-Bromobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromobutane?
Yes, CoreyChem provides custom synthesis services for 2-Bromobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.