4-Chlorophenyl 4-nitrobenzyl sulfone
TL;DR: 4-Chlorophenyl 4-nitrobenzyl sulfone (CAS 100398-52-5) is a chemical compound with molecular formula C13H10ClNO4S and molecular weight 311.0019 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzene
Also Known As: 4-Nitrobenzyl 4-chlorophenyl sulfone, 4-CHLOROPHENYL 4-NITROBENZYL SULFONE, 1-chloro-4-(4-nitrobenzylsulfonyl)benzene, J2.285.540I, 1-chloro-4-{[(4-nitrophenyl)methane]sulfonyl}benzene
Technical Specifications
| Molecular Formula | C13H10ClNO4S |
| Molecular Weight | 311.0019 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0019 Da |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | KGVBETVZAXFPLS-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlorophenyl 4-nitrobenzyl sulfone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 4-Chlorophenyl 4-nitrobenzyl sulfone (CAS 100398-52-5) has the molecular formula C13H10ClNO4S and a molecular weight of 311 g/mol. Synonyms include 4-Nitrobenzyl 4-chlorophenyl sulfone and 4-CHLOROPHENYL 4-NITROBENZYL SULFONE.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Chlorophenyl 4-nitrobenzyl sulfone
Property Insights of 4-Chlorophenyl 4-nitrobenzyl sulfone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl 4-nitrobenzyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl 4-nitrobenzyl sulfone. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-nitrobenzyl sulfone has 0 hydrogen bond donor(s) and 4 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-Chlorophenyl 4-nitrobenzyl sulfone?
The CAS number of 4-Chlorophenyl 4-nitrobenzyl sulfone is 100398-52-5.
What is the molecular formula of 4-Chlorophenyl 4-nitrobenzyl sulfone?
The molecular formula of 4-Chlorophenyl 4-nitrobenzyl sulfone is C13H10ClNO4S.
What is the molecular weight of 4-Chlorophenyl 4-nitrobenzyl sulfone?
The molecular weight of 4-Chlorophenyl 4-nitrobenzyl sulfone is 311.0019 g/mol.
What are the applications of 4-Chlorophenyl 4-nitrobenzyl sulfone?
4-Chlorophenyl 4-nitrobenzyl sulfone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA,...
Where can I buy 4-Chlorophenyl 4-nitrobenzyl sulfone?
You can request a quote for 4-Chlorophenyl 4-nitrobenzyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenyl 4-nitrobenzyl sulfone?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenyl 4-nitrobenzyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.