1-Chlorooctane
TL;DR: 1-Chlorooctane (CAS 111-85-3) is a chemical compound with molecular formula C8H17Cl and molecular weight 148.10188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chlorooctane
Also Known As: 1-CHLOROOCTANE, Octyl chloride, n-Octyl chloride, Capryl chloride, Octane, 1-chloro-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H17Cl |
| Molecular Weight | 148.10188 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 148.10188 Da |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | -57.8 °C |
| Boiling Point | 181.5 °C @ 760 MM HG |
| Density | 0.8738 @ 20 °C/4 °C |
| Flash Point | 70 °C |
| Vapor Pressure | 0.95 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4305 @ 20 °C/D |
| Solubility | INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE |
| SMILES | CCCCCCCCCl |
| InChIKey | CNDHHGUSRIZDSL-UHFFFAOYSA-N |
Product Description
Applications: 1-Chlorooctane is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. 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 organic building block supplied by CoreyChem, 1-Chlorooctane (CAS 111-85-3) has the molecular formula C8H17Cl and a molecular weight of 148.1 g/mol. Reported properties include a density of 0.8738 @ 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE. Synonyms include 1-CHLOROOCTANE and Octyl chloride.
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-Chlorooctane
Property Insights of 1-Chlorooctane
The XLogP value of 4.7 indicates that 1-Chlorooctane 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-Chlorooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorooctane 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-Chlorooctane?
The CAS number of 1-Chlorooctane is 111-85-3.
What is the molecular formula of 1-Chlorooctane?
The molecular formula of 1-Chlorooctane is C8H17Cl.
What is the molecular weight of 1-Chlorooctane?
The molecular weight of 1-Chlorooctane is 148.10188 g/mol.
What are the applications of 1-Chlorooctane?
1-Chlorooctane is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1-Chlorooctane?
You can request a quote for 1-Chlorooctane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chlorooctane?
Yes, CoreyChem provides custom synthesis services for 1-Chlorooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.