1-Bromooctane
TL;DR: 1-Bromooctane (CAS 111-83-1) is a chemical compound with molecular formula C8H17Br and molecular weight 192.05136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromooctane
Also Known As: 1-Bromooctane, n-Octyl bromide, Octyl bromide, 1-Octylbromide, 1-Bromo-octane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H17Br |
| Molecular Weight | 192.05136 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.05136 Da |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | -55 °C |
| Boiling Point | 201.5 °C @760 [mm Hg] |
| Density | 1.11 @25 °C |
| Vapor Pressure | 0.34 [mmHg] |
| SMILES | CCCCCCCCBr |
| InChIKey | VMKOFRJSULQZRM-UHFFFAOYSA-N |
Product Description
Applications: 1-Bromooctane 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. 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, 1-Bromooctane (CAS 111-83-1) has the molecular formula C8H17Br and a molecular weight of 192.05 g/mol. Reported properties include a density of 1.11 @25 °C g/cm³. Synonyms include 1-Bromooctane and n-Octyl 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-Bromooctane
Property Insights of 1-Bromooctane
The XLogP value of 4.9 indicates that 1-Bromooctane 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-Bromooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromooctane 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-Bromooctane?
The CAS number of 1-Bromooctane is 111-83-1.
What is the molecular formula of 1-Bromooctane?
The molecular formula of 1-Bromooctane is C8H17Br.
What is the molecular weight of 1-Bromooctane?
The molecular weight of 1-Bromooctane is 192.05136 g/mol.
What are the applications of 1-Bromooctane?
1-Bromooctane 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. Available from CoreyChem as both catalog item and...
Where can I buy 1-Bromooctane?
You can request a quote for 1-Bromooctane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromooctane?
Yes, CoreyChem provides custom synthesis services for 1-Bromooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.