2-溴丁烷
TL;DR: 2-溴丁烷 (CAS 78-76-2) is a chemical compound with molecular formula C4H9Br and molecular weight 135.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴丁烷
2-bromobutane
Also Known As: 2-Bromobutane, SEC-BUTYL BROMIDE, Butane, 2-bromo-, 2-Butyl bromide, Methylethylbromomethane
| Molecular Formula | C4H9Br |
|---|---|
| Molecular Weight | 135.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.98875 |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Melting Point | -111.9 °C |
| Boiling Point | 91.4 °C at 760 mmHg |
| Density | 1.258 at 20.0 °C |
| Solubility | Soluble in alcohol and ether; insoluble in water. |
| Flash Point | 21.1 °C |
| Vapor Pressure | 57.0 [mmHg] |
| Refractive Index | = 1.4344 at 25 °C /dl-form/ |
Chemical Identifiers
| CAS Number | 78-76-2 |
|---|---|
| SMILES | CCC(C)Br |
| InChIKey | UPSXAPQYNGXVBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-溴丁烷 (CAS 78-76-2), with molecular formula C4H9Br and molecular weight 135.99 g/mol. IUPAC: 2-bromobutane.
Chemical Property Profile of 2-溴丁烷
Property Insights of 2-溴丁烷
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 2-溴丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴丁烷 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
Frequently Asked Questions
What is the CAS number of 2-溴丁烷?
The CAS number of 2-溴丁烷 is 78-76-2.
What is the molecular formula of 2-溴丁烷?
The molecular formula of 2-溴丁烷 is C4H9Br.
What is the molecular weight of 2-溴丁烷?
The molecular weight of 2-溴丁烷 is 135.99 g/mol.
Where can I buy 2-溴丁烷?
You can request a quote for 2-溴丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴丁烷?
Yes, KEHONG BIO provides custom synthesis services for 2-溴丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.