1-Bromohexane
TL;DR: 1-Bromohexane (CAS 111-25-1) is a chemical compound with molecular formula C6H13Br and molecular weight 164.02007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromohexane
Also Known As: 1-BROMOHEXANE, Hexyl bromide, n-Hexyl bromide, Bromohexane, 1-Hexyl bromide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13Br |
| Molecular Weight | 164.02007 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02007 Da |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Melting Point | -84.7 °C |
| Boiling Point | 155.3 °C @760 [mm Hg] |
| Density | 1.1744 @ 20°C |
| Vapor Pressure | 3.9 [mmHg] |
| SMILES | CCCCCCBr |
| InChIKey | MNDIARAMWBIKFW-UHFFFAOYSA-N |
Product Description
Applications: 1-Bromohexane 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-Bromohexane (CAS 111-25-1) 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, 1-Bromohexane (CAS 111-25-1) has the molecular formula C6H13Br and a molecular weight of 164.02 g/mol. Reported properties include a density of 1.1744 @ 20°C g/cm³. It is also known as 1-BROMOHEXANE and Hexyl 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-Bromohexane
Property Insights of 1-Bromohexane
The XLogP value of 3.8 indicates that 1-Bromohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromohexane 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-Bromohexane?
The CAS number of 1-Bromohexane is 111-25-1.
What is the molecular formula of 1-Bromohexane?
The molecular formula of 1-Bromohexane is C6H13Br.
What is the molecular weight of 1-Bromohexane?
The molecular weight of 1-Bromohexane is 164.02007 g/mol.
What are the applications of 1-Bromohexane?
1-Bromohexane 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-Bromohexane (CAS 111-25-1) with custom...
Where can I buy 1-Bromohexane?
You can request a quote for 1-Bromohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromohexane?
Yes, CoreyChem provides custom synthesis services for 1-Bromohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.