(E)-1,3-Dichloropropene
TL;DR: (E)-1,3-Dichloropropene (CAS 10061-02-6) 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.
(E)-1,3-dichloroprop-1-ene
Also Known As: trans-1,3-Dichloropropene, 1,3-DICHLOROPROPENE, Telone, Telone II, Nemex
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4Cl2 |
| Molecular Weight | 109.969 g/mol |
| XLogP | 1.7 |
| 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 |
| Melting Point | -50 °C |
| Boiling Point | 234 °F at 760 mmHg (NTP, 1992) |
| Density | 1.224 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 34 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4682 @ 20 °C |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| SMILES | C(/C=C/Cl)Cl |
| InChIKey | UOORRWUZONOOLO-OWOJBTEDSA-N |
Chemical Property Profile of (E)-1,3-Dichloropropene
Property Insights of (E)-1,3-Dichloropropene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,3-Dichloropropene. With a topological polar surface area (TPSA) of 0.0 Ų, (E)-1,3-Dichloropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,3-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 (E)-1,3-Dichloropropene?
The CAS number of (E)-1,3-Dichloropropene is 10061-02-6.
What is the molecular formula of (E)-1,3-Dichloropropene?
The molecular formula of (E)-1,3-Dichloropropene is C3H4Cl2.
What is the molecular weight of (E)-1,3-Dichloropropene?
The molecular weight of (E)-1,3-Dichloropropene is 109.969 g/mol.
Where can I buy (E)-1,3-Dichloropropene?
You can request a quote for (E)-1,3-Dichloropropene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1,3-Dichloropropene?
Yes, CoreyChem provides custom synthesis services for (E)-1,3-Dichloropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.