1-Chloro-3-(dichloromethyl)benzene
TL;DR: 1-Chloro-3-(dichloromethyl)benzene (CAS 15145-69-4) 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-3-(dichloromethyl)benzene
Also Known As: 3-CHLOROBENZAL CHLORIDE, 1-Chloro-3-(dichloromethyl)benzene, m-Chlorbenzalchlorid, ,,2-Trichlorotoluene, 3-Chlrobenzal chloride
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 193.94568 g/mol |
| XLogP | 4.0 |
| 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 | 103.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C(Cl)Cl |
| InChIKey | ACNQJGLSENYFQJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-3-(dichloromethyl)benzene
Property Insights of 1-Chloro-3-(dichloromethyl)benzene
The XLogP value of 4.0 indicates that 1-Chloro-3-(dichloromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3-(dichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(dichloromethyl)benzene 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-Chloro-3-(dichloromethyl)benzene?
The CAS number of 1-Chloro-3-(dichloromethyl)benzene is 15145-69-4.
What is the molecular formula of 1-Chloro-3-(dichloromethyl)benzene?
The molecular formula of 1-Chloro-3-(dichloromethyl)benzene is C7H5Cl3.
What is the molecular weight of 1-Chloro-3-(dichloromethyl)benzene?
The molecular weight of 1-Chloro-3-(dichloromethyl)benzene is 193.94568 g/mol.
Where can I buy 1-Chloro-3-(dichloromethyl)benzene?
You can request a quote for 1-Chloro-3-(dichloromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-3-(dichloromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-3-(dichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.