Isobutyl chloride
TL;DR: Isobutyl chloride (CAS 513-36-0) 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-chloro-2-methylpropane
Also Known As: 1-Chloro-2-methylpropane, ISOBUTYL CHLORIDE, Propane, 1-chloro-2-methyl-, isobutylchlorid, iso-C4H9Cl
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9Cl |
| Molecular Weight | 92.039276 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.039276 Da |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| Melting Point | -131 °C |
| Boiling Point | 69 °C |
| Density | Relative density (water = 1): 0.9 |
| Flash Point | -10 °C |
| Vapor Pressure | 150.0 [mmHg] |
| Solubility | Solubility in water: none |
| SMILES | CC(C)CCl |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl chloride (CAS 513-36-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Isobutyl chloride (CAS 513-36-0) has the molecular formula C4H9Cl and a molecular weight of 92.04 g/mol. Reported properties include a density of Relative density (water = 1): 0.9 g/cm³, a solubility: Solubility in water: none. It is also known as 1-Chloro-2-methylpropane and ISOBUTYL 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 Isobutyl chloride
Property Insights of Isobutyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl chloride. With a topological polar surface area (TPSA) of 0.0 Ų, Isobutyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl chloride?
The CAS number of Isobutyl chloride is 513-36-0.
What is the molecular formula of Isobutyl chloride?
The molecular formula of Isobutyl chloride is C4H9Cl.
What is the molecular weight of Isobutyl chloride?
The molecular weight of Isobutyl chloride is 92.039276 g/mol.
What are the applications of Isobutyl chloride?
Isobutyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl...
Where can I buy Isobutyl chloride?
You can request a quote for Isobutyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl chloride?
Yes, CoreyChem provides custom synthesis services for Isobutyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.