1-Chloro-4-(trichloromethylsulfonyl)benzene
TL;DR: 1-Chloro-4-(trichloromethylsulfonyl)benzene (CAS 117992-53-7) is a chemical compound with molecular formula C7H4Cl4O2S and molecular weight 291.86862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-(trichloromethylsulfonyl)benzene
Also Known As: 4-Chlorophenyl trichloromethyl sulfone, 1-chloro-4-(trichloromethylsulfonyl)benzene, Trichloromethyl(4-chlorophenyl) sulfone, 1-chloro-4-trichloromethanesulfonylbenzene, 1-chloro-4-[(trichloromethyl)sulfonyl]benzene
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4Cl4O2S |
| Molecular Weight | 291.86862 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.86862 Da |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(Cl)(Cl)Cl)Cl |
| InChIKey | PJNHKVGTQYJHKQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-4-(trichloromethylsulfonyl)benzene
Property Insights of 1-Chloro-4-(trichloromethylsulfonyl)benzene
The XLogP value of 3.0 indicates that 1-Chloro-4-(trichloromethylsulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(trichloromethylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(trichloromethylsulfonyl)benzene has 0 hydrogen bond donor(s) and 2 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-4-(trichloromethylsulfonyl)benzene?
The CAS number of 1-Chloro-4-(trichloromethylsulfonyl)benzene is 117992-53-7.
What is the molecular formula of 1-Chloro-4-(trichloromethylsulfonyl)benzene?
The molecular formula of 1-Chloro-4-(trichloromethylsulfonyl)benzene is C7H4Cl4O2S.
What is the molecular weight of 1-Chloro-4-(trichloromethylsulfonyl)benzene?
The molecular weight of 1-Chloro-4-(trichloromethylsulfonyl)benzene is 291.86862 g/mol.
Where can I buy 1-Chloro-4-(trichloromethylsulfonyl)benzene?
You can request a quote for 1-Chloro-4-(trichloromethylsulfonyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-4-(trichloromethylsulfonyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-4-(trichloromethylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.