异丁基氯
TL;DR: 异丁基氯 (CAS 513-36-0) 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.
异丁基氯
1-chloro-2-methylpropane
Also Known As: 1-Chloro-2-methylpropane, ISOBUTYL CHLORIDE, Propane, 1-chloro-2-methyl-, isobutylchlorid, iso-C4H9Cl
| Molecular Formula | C4H9Cl |
|---|---|
| Molecular Weight | 92.04 g/mol |
| LogP | 2.1 |
| 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 | 17.0 |
| Melting Point | -131 °C |
| Boiling Point | 69 °C |
| Density | Relative density (water = 1): 0.9 |
| Solubility | Solubility in water: none |
| Flash Point | -10 °C |
| Vapor Pressure | 150.0 [mmHg] |
Chemical Identifiers
| CAS Number | 513-36-0 |
|---|---|
| SMILES | CC(C)CCl |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁基氯 (CAS 513-36-0), with molecular formula C4H9Cl and molecular weight 92.04 g/mol. IUPAC: 1-chloro-2-methylpropane.
Chemical Property Profile of 异丁基氯
Property Insights of 异丁基氯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁基氯. With a topological polar surface area (TPSA) of 0.0 Ų, 异丁基氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁基氯 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 异丁基氯?
The CAS number of 异丁基氯 is 513-36-0.
What is the molecular formula of 异丁基氯?
The molecular formula of 异丁基氯 is C4H9Cl.
What is the molecular weight of 异丁基氯?
The molecular weight of 异丁基氯 is 92.04 g/mol.
Where can I buy 异丁基氯?
You can request a quote for 异丁基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基氯?
Yes, KEHONG BIO provides custom synthesis services for 异丁基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.