Butyl Chloride
TL;DR: Butyl Chloride (CAS 109-69-3) is a chemical compound with molecular formula C4H9Cl and molecular weight 92.039276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chlorobutane
Also Known As: 1-Chlorobutane, Butyl chloride, N-BUTYL CHLORIDE, chlorobutane, Chlorure de butyle
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9Cl |
| Molecular Weight | 92.039276 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 92.039276 Da |
| Heavy Atoms | 5 |
| Complexity | 13.0 |
| Melting Point | -189.6 °F (NTP, 1992) |
| Boiling Point | 173.3 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8862 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 20 °F (NTP, 1992) |
| Vapor Pressure | 40 mmHg at 41 °F ; 80.1 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.40223 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| SMILES | CCCCCl |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
Product Description
Applications: Butyl Chloride 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).
Butyl Chloride is a heterocyclic building block identified by CAS number 109-69-3 and the molecular formula C4H9Cl and a molecular weight of 92.04 g/mol. Physically, the compound has a density of 0.8862 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 59 °F (NTP, 1992). Synonyms include 1-Chlorobutane and Butyl 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 Butyl Chloride
Property Insights of Butyl Chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl Chloride. With a topological polar surface area (TPSA) of 0.0 Ų, Butyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl Chloride 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 Butyl Chloride?
The CAS number of Butyl Chloride is 109-69-3.
What is the molecular formula of Butyl Chloride?
The molecular formula of Butyl Chloride is C4H9Cl.
What is the molecular weight of Butyl Chloride?
The molecular weight of Butyl Chloride is 92.039276 g/mol.
What are the applications of Butyl Chloride?
Butyl Chloride 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 Butyl Chloride?
You can request a quote for Butyl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl Chloride?
Yes, CoreyChem provides custom synthesis services for Butyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.