3,3-Dichloropropene
TL;DR: 3,3-Dichloropropene (CAS 563-57-5) 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.
3,3-dichloroprop-1-ene
Also Known As: 1-Propene, 3,3-dichloro-, 3,3-dichloroprop-1-ene, 3,3-Dichloro-1-propene, 3,3-DICHLOROPROPENE, Allylidendichlorid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4Cl2 |
| Molecular Weight | 109.969 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.969 Da |
| Heavy Atoms | 5 |
| Complexity | 31.0 |
| SMILES | C=CC(Cl)Cl |
| InChIKey | VRTNIWBNFSHDEB-UHFFFAOYSA-N |
Product Description
Applications: 3,3-Dichloropropene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3,3-Dichloropropene (CAS 563-57-5) is a heterocyclic building block with the molecular formula C3H4Cl2 and a molecular weight of 109.97 g/mol. Synonyms include 1-Propene, 3,3-dichloro- and 3,3-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 3,3-Dichloropropene
Property Insights of 3,3-Dichloropropene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloropropene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dichloropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-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 3,3-Dichloropropene?
The CAS number of 3,3-Dichloropropene is 563-57-5.
What is the molecular formula of 3,3-Dichloropropene?
The molecular formula of 3,3-Dichloropropene is C3H4Cl2.
What is the molecular weight of 3,3-Dichloropropene?
The molecular weight of 3,3-Dichloropropene is 109.969 g/mol.
What are the applications of 3,3-Dichloropropene?
3,3-Dichloropropene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 3,3-Dichloropropene?
You can request a quote for 3,3-Dichloropropene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dichloropropene?
Yes, CoreyChem provides custom synthesis services for 3,3-Dichloropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.