1,1-Dichloropropene
TL;DR: 1,1-Dichloropropene (CAS 563-58-6) is a chemical compound with molecular formula C3H4Cl2 and molecular weight 109.969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dichloroprop-1-ene
Also Known As: 1,1-DICHLOROPROPENE, 1,1-dichloroprop-1-ene, DICHLOROPROPENE, 1,1-Dichloro-1-propene, 1,1-Dichloropropylene
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4Cl2 |
| Molecular Weight | 109.969 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.969 Da |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Boiling Point | 76.5 °C @760 [mm Hg] |
| Density | 1.1864 @25 °C |
| Vapor Pressure | 90.8 [mmHg] |
| Solubility | In water, 2.7X10+3 mg/l at 20 °C |
| SMILES | CC=C(Cl)Cl |
| InChIKey | ZAIDIVBQUMFXEC-UHFFFAOYSA-N |
Product Description
Applications: 1,1-Dichloropropene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,1-Dichloropropene (CAS 563-58-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,1-Dichloropropene is a heterocyclic building block identified by CAS number 563-58-6 and the molecular formula C3H4Cl2 and a molecular weight of 109.97 g/mol. Physically, the compound has a density of 1.1864 @25 °C g/cm³, a solubility: In water, 2.7X10+3 mg/l at 20 °C. It is also known as 1,1-DICHLOROPROPENE and 1,1-dichloroprop-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 1,1-Dichloropropene
Property Insights of 1,1-Dichloropropene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloropropene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dichloropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloropropene 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 1,1-Dichloropropene?
The CAS number of 1,1-Dichloropropene is 563-58-6.
What is the molecular formula of 1,1-Dichloropropene?
The molecular formula of 1,1-Dichloropropene is C3H4Cl2.
What is the molecular weight of 1,1-Dichloropropene?
The molecular weight of 1,1-Dichloropropene is 109.969 g/mol.
What are the applications of 1,1-Dichloropropene?
1,1-Dichloropropene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1,1-Dichloropropene?
You can request a quote for 1,1-Dichloropropene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dichloropropene?
Yes, CoreyChem provides custom synthesis services for 1,1-Dichloropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.