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 90.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C4H7Cl |
|---|---|
| Molecular Weight | 90.02 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 | 90.02363 |
| Heavy Atoms | 5 |
| Complexity | 38.0 |
| Melting Point | less than -80.0 °C |
| Boiling Point | 160 to 72.2 °C at 760 mmHg |
| Density | 0.928 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | -12.8 °C |
| Vapor Pressure | 101.7 mmHg at 20.0 °C |
| Refractive Index | 1.4318 AT 15 °C; 1.4274 AT 20 °C |
Chemical Identifiers
| CAS Number | 563-47-3 |
|---|---|
| SMILES | CC(=C)CCl |
| InChIKey | OHXAOPZTJOUYKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methyl-1-propene (CAS 563-47-3), with molecular formula C4H7Cl and molecular weight 90.02 g/mol. IUPAC: 3-chloro-2-methylprop-1-ene.
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
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 90.02 g/mol.
Where can I buy 3-Chloro-2-methyl-1-propene?
You can request a quote for 3-Chloro-2-methyl-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-1-propene?
Yes, KEHONG BIO 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.