t-Butyl bromide
TL;DR: t-Butyl bromide (CAS 507-19-7) 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.
叔丁基溴
2-bromo-2-methylpropane
Also Known As: 2-Bromo-2-methylpropane, tert-Butyl bromide, T-BUTYL BROMIDE, 2-Bromoisobutane, Trimethylbromomethane
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9Br |
| Molecular Weight | 135.98875 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.98875 Da |
| Heavy Atoms | 5 |
| Complexity | 25.0 |
| Melting Point | -16.2 °C |
| Boiling Point | 73.3 °C |
| Density | 1.2125 at 25 °C/4 °C |
| Flash Point | 18.3 °C |
| Vapor Pressure | 135.0 [mmHg] |
| Refractive Index | Index of refraction = 1.4249 at 25 °C/D |
| Solubility | Miscible with organic solvents |
| SMILES | CC(C)(C)Br |
| InChIKey | RKSOPLXZQNSWAS-UHFFFAOYSA-N |
Product Description
Applications: t-Butyl bromide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, t-Butyl bromide (CAS 507-19-7) has the molecular formula C4H9Br and a molecular weight of 135.99 g/mol. Reported properties include a density of 1.2125 at 25 °C/4 °C g/cm³, a solubility: Miscible with organic solvents. Synonyms include 2-Bromo-2-methylpropane and tert-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 t-Butyl bromide
Property Insights of t-Butyl bromide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyl bromide. With a topological polar surface area (TPSA) of 0.0 Ų, t-Butyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, t-Butyl bromide 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 t-Butyl bromide?
The CAS number of t-Butyl bromide is 507-19-7.
What is the molecular formula of t-Butyl bromide?
The molecular formula of t-Butyl bromide is C4H9Br.
What is the molecular weight of t-Butyl bromide?
The molecular weight of t-Butyl bromide is 135.98875 g/mol.
What are the applications of t-Butyl bromide?
t-Butyl bromide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy t-Butyl bromide?
You can request a quote for t-Butyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for t-Butyl bromide?
Yes, CoreyChem provides custom synthesis services for t-Butyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.