1-Bromo-2-methylpropane
TL;DR: 1-Bromo-2-methylpropane (CAS 78-77-3) 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.
1-bromo-2-methylpropane
Also Known As: 1-Bromo-2-methylpropane, ISOBUTYL BROMIDE, iso-Butyl bromide, Bromoisobutane, i-Butyl bromide
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 | 17.0 |
| Vapor Pressure | 72.0 [mmHg] |
| SMILES | CC(C)CBr |
| InChIKey | HLVFKOKELQSXIQ-UHFFFAOYSA-N |
Product Description
Applications: 1-Bromo-2-methylpropane 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 1-Bromo-2-methylpropane (CAS 78-77-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Bromo-2-methylpropane is a heterocyclic building block identified by CAS number 78-77-3 and the molecular formula C4H9Br and a molecular weight of 135.99 g/mol. It is also known as 1-Bromo-2-methylpropane and ISOBUTYL 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-2-methylpropane
Property Insights of 1-Bromo-2-methylpropane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-methylpropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-methylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-methylpropane 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-Bromo-2-methylpropane?
The CAS number of 1-Bromo-2-methylpropane is 78-77-3.
What is the molecular formula of 1-Bromo-2-methylpropane?
The molecular formula of 1-Bromo-2-methylpropane is C4H9Br.
What is the molecular weight of 1-Bromo-2-methylpropane?
The molecular weight of 1-Bromo-2-methylpropane is 135.98875 g/mol.
What are the applications of 1-Bromo-2-methylpropane?
1-Bromo-2-methylpropane 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 1-Bromo-2-methylpropane (CAS...
Where can I buy 1-Bromo-2-methylpropane?
You can request a quote for 1-Bromo-2-methylpropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2-methylpropane?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2-methylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.