3-Chloro-1-butene
TL;DR: 3-Chloro-1-butene (CAS 563-52-0) is a chemical compound with molecular formula C4H7Cl and molecular weight 90.02363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chlorobut-1-ene
Also Known As: 3-CHLORO-1-BUTENE, 3-Chlorobut-1-ene, 1-Butene, 3-chloro-, 1-Methylallyl chloride, alpha-Methallyl chloride
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl |
| Molecular Weight | 90.02363 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.02363 Da |
| Heavy Atoms | 5 |
| Complexity | 32.0 |
| Vapor Pressure | 153.0 [mmHg] |
| SMILES | CC(C=C)Cl |
| InChIKey | VZGLVCFVUREVDP-UHFFFAOYSA-N |
Product Description
Applications: 3-Chloro-1-butene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-1-butene (CAS 563-52-0) 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, 3-Chloro-1-butene (CAS 563-52-0) has the molecular formula C4H7Cl and a molecular weight of 90.02 g/mol. It is also known as 3-CHLORO-1-BUTENE and 3-Chlorobut-1-ene.
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 3-Chloro-1-butene
Property Insights of 3-Chloro-1-butene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-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 3-Chloro-1-butene?
The CAS number of 3-Chloro-1-butene is 563-52-0.
What is the molecular formula of 3-Chloro-1-butene?
The molecular formula of 3-Chloro-1-butene is C4H7Cl.
What is the molecular weight of 3-Chloro-1-butene?
The molecular weight of 3-Chloro-1-butene is 90.02363 g/mol.
What are the applications of 3-Chloro-1-butene?
3-Chloro-1-butene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-1-butene (CAS 563-52-0)...
Where can I buy 3-Chloro-1-butene?
You can request a quote for 3-Chloro-1-butene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-1-butene?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.