3-Chloro-2-methyl-1-propene
TL;DR: 3-Chloro-2-methyl-1-propene (CAS 563-47-3) 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-chloro-2-methylprop-1-ene
Also Known As: 3-Chloro-2-methylpropene, Methallyl chloride, 3-Chloro-2-methylprop-1-ene, 2-Methylallyl chloride, Isobutenyl chloride
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl |
| Molecular Weight | 90.02363 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 | 90.02363 Da |
| Heavy Atoms | 5 |
| Complexity | 38.0 |
| Melting Point | less than -112 °F (NTP, 1992) |
| Boiling Point | 160 to 162 °F at 760 mmHg (NTP, 1992) |
| Density | 0.928 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 9 °F (NTP, 1992) |
| Vapor Pressure | 101.7 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.4318 AT 15 °C/D; 1.4274 AT 20 °C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC(=C)CCl |
| InChIKey | OHXAOPZTJOUYKM-UHFFFAOYSA-N |
Product Description
Applications: 3-Chloro-2-methyl-1-propene 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-2-methyl-1-propene (CAS 563-47-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Chloro-2-methyl-1-propene is a heterocyclic building block identified by CAS number 563-47-3 and the molecular formula C4H7Cl and a molecular weight of 90.02 g/mol. Physically, the compound has a density of 0.928 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as 3-Chloro-2-methylpropene and Methallyl 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 3-Chloro-2-methyl-1-propene
Property Insights of 3-Chloro-2-methyl-1-propene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-1-propene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-2-methyl-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-1-propene 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-2-methyl-1-propene?
The CAS number of 3-Chloro-2-methyl-1-propene is 563-47-3.
What is the molecular formula of 3-Chloro-2-methyl-1-propene?
The molecular formula of 3-Chloro-2-methyl-1-propene is C4H7Cl.
What is the molecular weight of 3-Chloro-2-methyl-1-propene?
The molecular weight of 3-Chloro-2-methyl-1-propene is 90.02363 g/mol.
What are the applications of 3-Chloro-2-methyl-1-propene?
3-Chloro-2-methyl-1-propene 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...
Where can I buy 3-Chloro-2-methyl-1-propene?
You can request a quote for 3-Chloro-2-methyl-1-propene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-methyl-1-propene?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-methyl-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.