2,3-Dichloroprop-2-enenitrile
TL;DR: 2,3-Dichloroprop-2-enenitrile (CAS 22410-58-8) is a chemical compound with molecular formula C3HCl2N and molecular weight 120.9486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dichloroprop-2-enenitrile
Also Known As: 2,3-Dichloroacrylonitrile, 2,3-dichloroprop-2-enenitrile, 2,3-Dichloro-2-propenenitrile, 2-Propenenitrile,2,3-dichloro-, TL 236
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3HCl2N |
| Molecular Weight | 120.9486 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.9486 Da |
| Heavy Atoms | 6 |
| Complexity | 107.0 |
| SMILES | C(=C(C#N)Cl)Cl |
| InChIKey | NDWDVOQVCRKCDJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dichloroprop-2-enenitrile
Property Insights of 2,3-Dichloroprop-2-enenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloroprop-2-enenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Dichloroprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloroprop-2-enenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Dichloroprop-2-enenitrile?
The CAS number of 2,3-Dichloroprop-2-enenitrile is 22410-58-8.
What is the molecular formula of 2,3-Dichloroprop-2-enenitrile?
The molecular formula of 2,3-Dichloroprop-2-enenitrile is C3HCl2N.
What is the molecular weight of 2,3-Dichloroprop-2-enenitrile?
The molecular weight of 2,3-Dichloroprop-2-enenitrile is 120.9486 g/mol.
Where can I buy 2,3-Dichloroprop-2-enenitrile?
You can request a quote for 2,3-Dichloroprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dichloroprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2,3-Dichloroprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.