1-氯丁烷
TL;DR: 1-氯丁烷 (CAS 109-69-3) is a chemical compound with molecular formula C4H9Cl and molecular weight 92.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯丁烷
1-chlorobutane
Also Known As: 1-Chlorobutane, Butyl chloride, N-BUTYL CHLORIDE, chlorobutane, Chlorure de butyle
| Molecular Formula | C4H9Cl |
|---|---|
| Molecular Weight | 92.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 92.039276 |
| Heavy Atoms | 5 |
| Complexity | 13.0 |
| Melting Point | -123.1 °C |
| Boiling Point | 78.5 °C at 760 mmHg |
| Density | 0.8862 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | -6.7 °C |
| Vapor Pressure | 40 mmHg at 5.0 °C ; 80.1 mmHg at 20.0 °C |
| Refractive Index | 1.40223 @ 20 °C |
Chemical Identifiers
| CAS Number | 109-69-3 |
|---|---|
| SMILES | CCCCCl |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯丁烷 (CAS 109-69-3), with molecular formula C4H9Cl and molecular weight 92.04 g/mol. IUPAC: 1-chlorobutane.
Chemical Property Profile of 1-氯丁烷
Property Insights of 1-氯丁烷
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1-氯丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯丁烷 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
Frequently Asked Questions
What is the CAS number of 1-氯丁烷?
The CAS number of 1-氯丁烷 is 109-69-3.
What is the molecular formula of 1-氯丁烷?
The molecular formula of 1-氯丁烷 is C4H9Cl.
What is the molecular weight of 1-氯丁烷?
The molecular weight of 1-氯丁烷 is 92.04 g/mol.
Where can I buy 1-氯丁烷?
You can request a quote for 1-氯丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1-氯丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.