4-Chlorobenzal chloride
TL;DR: 4-Chlorobenzal chloride (CAS 13940-94-8) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.94568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-(dichloromethyl)benzene
Also Known As: 4-Chlorobenzal chloride, 1-chloro-4-(dichloromethyl)benzene, p-Chlorobenzal chloride, p-Chlorobenzalchloride, 4-Chlorobenzalchloride
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 193.94568 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.94568 Da |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| SMILES | C1=CC(=CC=C1C(Cl)Cl)Cl |
| InChIKey | VWHNJDGWDOQJRM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorobenzal chloride
Property Insights of 4-Chlorobenzal chloride
The XLogP value of 4.1 indicates that 4-Chlorobenzal chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chlorobenzal chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzal chloride 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 4-Chlorobenzal chloride?
The CAS number of 4-Chlorobenzal chloride is 13940-94-8.
What is the molecular formula of 4-Chlorobenzal chloride?
The molecular formula of 4-Chlorobenzal chloride is C7H5Cl3.
What is the molecular weight of 4-Chlorobenzal chloride?
The molecular weight of 4-Chlorobenzal chloride is 193.94568 g/mol.
Where can I buy 4-Chlorobenzal chloride?
You can request a quote for 4-Chlorobenzal chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzal chloride?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzal chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.