1-Chlorohexane
TL;DR: 1-Chlorohexane (CAS 544-10-5) is a chemical compound with molecular formula C6H13Cl and molecular weight 120.07058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chlorohexane
Also Known As: 1-CHLOROHEXANE, Hexyl chloride, Chlorohexane, n-Hexyl chloride, Hexane, 1-chloro-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13Cl |
| Molecular Weight | 120.07058 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 120.07058 Da |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Flash Point | 95 °F (NFPA, 2010) |
| Vapor Pressure | 9.37 [mmHg] |
| SMILES | CCCCCCCl |
| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
Product Description
Applications: 1-Chlorohexane 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).
1-Chlorohexane is a organic building block identified by CAS number 544-10-5 and the molecular formula C6H13Cl and a molecular weight of 120.07 g/mol. Synonyms include 1-CHLOROHEXANE and Hexyl 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-Chlorohexane
Property Insights of 1-Chlorohexane
The XLogP value of 3.6 indicates that 1-Chlorohexane 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-Chlorohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorohexane 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-Chlorohexane?
The CAS number of 1-Chlorohexane is 544-10-5.
What is the molecular formula of 1-Chlorohexane?
The molecular formula of 1-Chlorohexane is C6H13Cl.
What is the molecular weight of 1-Chlorohexane?
The molecular weight of 1-Chlorohexane is 120.07058 g/mol.
What are the applications of 1-Chlorohexane?
1-Chlorohexane 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-Chlorohexane?
You can request a quote for 1-Chlorohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chlorohexane?
Yes, CoreyChem provides custom synthesis services for 1-Chlorohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.