叔丁基溴
TL;DR: 叔丁基溴 (CAS 507-19-7) 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.
叔丁基溴
2-bromo-2-methylpropane
Also Known As: 2-Bromo-2-methylpropane, tert-Butyl bromide, T-BUTYL BROMIDE, 2-Bromoisobutane, Trimethylbromomethane
| Molecular Formula | C4H9Br |
|---|---|
| Molecular Weight | 135.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.98875 |
| Heavy Atoms | 5 |
| Complexity | 25.0 |
| Melting Point | -16.2 °C |
| Boiling Point | 73.3 °C |
| Density | 1.2125 at 25 °C |
| Solubility | Miscible with organic solvents |
| Flash Point | 18.3 °C |
| Vapor Pressure | 135.0 [mmHg] |
| Refractive Index | = 1.4249 at 25 °C |
Chemical Identifiers
| CAS Number | 507-19-7 |
|---|---|
| SMILES | CC(C)(C)Br |
| InChIKey | RKSOPLXZQNSWAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基溴 (CAS 507-19-7), with molecular formula C4H9Br and molecular weight 135.99 g/mol. IUPAC: 2-bromo-2-methylpropane.
Chemical Property Profile of 叔丁基溴
Property Insights of 叔丁基溴
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁基溴. With a topological polar surface area (TPSA) of 0.0 Ų, 叔丁基溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基溴 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 叔丁基溴?
The CAS number of 叔丁基溴 is 507-19-7.
What is the molecular formula of 叔丁基溴?
The molecular formula of 叔丁基溴 is C4H9Br.
What is the molecular weight of 叔丁基溴?
The molecular weight of 叔丁基溴 is 135.99 g/mol.
Where can I buy 叔丁基溴?
You can request a quote for 叔丁基溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基溴?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.