2-氯丁烷
TL;DR: 2-氯丁烷 (CAS 78-86-4) 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.
2-氯丁烷
2-chlorobutane
Also Known As: 2-CHLOROBUTANE, sec-Butyl chloride, Butane, 2-chloro-, 1-Methylpropyl chloride, 2-Chloro-butane
| Molecular Formula | C4H9Cl |
|---|---|
| Molecular Weight | 92.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.039276 |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Boiling Point | 68.5 °C @760 [mm Hg] |
| Density | 0.873 @25 °C |
| Vapor Pressure | 157.0 [mmHg] |
Chemical Identifiers
| CAS Number | 78-86-4 |
|---|---|
| SMILES | CCC(C)Cl |
| InChIKey | BSPCSKHALVHRSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯丁烷 (CAS 78-86-4), with molecular formula C4H9Cl and molecular weight 92.04 g/mol. IUPAC: 2-chlorobutane.
Chemical Property Profile of 2-氯丁烷
Property Insights of 2-氯丁烷
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 2-氯丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-氯丁烷?
The CAS number of 2-氯丁烷 is 78-86-4.
What is the molecular formula of 2-氯丁烷?
The molecular formula of 2-氯丁烷 is C4H9Cl.
What is the molecular weight of 2-氯丁烷?
The molecular weight of 2-氯丁烷 is 92.04 g/mol.
Where can I buy 2-氯丁烷?
You can request a quote for 2-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 2-氯丁烷?
Yes, KEHONG BIO provides custom synthesis services for 2-氯丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.