1-Chloro-3-methyl-2-butene
TL;DR: 1-Chloro-3-methyl-2-butene (CAS 503-60-6) is a chemical compound with molecular formula C5H9Cl and molecular weight 104.039276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-methylbut-2-ene
Also Known As: Prenyl chloride, 1-CHLORO-3-METHYL-2-BUTENE, 1-Chloro-3-methylbut-2-ene, Chloropren, prenylchloride
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9Cl |
| Molecular Weight | 104.039276 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.039276 Da |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Boiling Point | 109 °C @ 760 MM HG |
| Density | 0.9273 @ 20 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.4485 @ 20 °C/D |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM |
| SMILES | CC(=CCCl)C |
| InChIKey | JKXQKGNGJVZKFA-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-3-methyl-2-butene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-3-methyl-2-butene (CAS 503-60-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Chloro-3-methyl-2-butene is a organic building block identified by CAS number 503-60-6 and the molecular formula C5H9Cl and a molecular weight of 104.04 g/mol. Physically, the compound has a density of 0.9273 @ 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM. It is also known as Prenyl chloride and 1-CHLORO-3-METHYL-2-BUTENE.
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 1-Chloro-3-methyl-2-butene
Property Insights of 1-Chloro-3-methyl-2-butene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-methyl-2-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3-methyl-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-methyl-2-butene 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 1-Chloro-3-methyl-2-butene?
The CAS number of 1-Chloro-3-methyl-2-butene is 503-60-6.
What is the molecular formula of 1-Chloro-3-methyl-2-butene?
The molecular formula of 1-Chloro-3-methyl-2-butene is C5H9Cl.
What is the molecular weight of 1-Chloro-3-methyl-2-butene?
The molecular weight of 1-Chloro-3-methyl-2-butene is 104.039276 g/mol.
What are the applications of 1-Chloro-3-methyl-2-butene?
1-Chloro-3-methyl-2-butene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1-Chloro-3-methyl-2-butene?
You can request a quote for 1-Chloro-3-methyl-2-butene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-3-methyl-2-butene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-3-methyl-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.