1-Chloro-4-(methylsulfonyl)benzene
TL;DR: 1-Chloro-4-(methylsulfonyl)benzene (CAS 98-57-7) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.98553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-methylsulfonylbenzene
Also Known As: 4-Chlorophenyl methyl sulfone, 1-CHLORO-4-(METHYLSULFONYL)BENZENE, p-Chlorophenyl methyl sulfone, Methyl 4-chlorophenyl sulfone, 4-Methylsulfuryl Chlorobenzene
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO2S |
| Molecular Weight | 189.98553 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.98553 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | LMCOQDVJBWVNNI-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-4-(methylsulfonyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
1-Chloro-4-(methylsulfonyl)benzene is a heterocyclic building block identified by CAS number 98-57-7 and the molecular formula C7H7ClO2S and a molecular weight of 189.99 g/mol. Synonyms include 4-Chlorophenyl methyl sulfone and 1-CHLORO-4-(METHYLSULFONYL)BENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Chloro-4-(methylsulfonyl)benzene
Property Insights of 1-Chloro-4-(methylsulfonyl)benzene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(methylsulfonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(methylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(methylsulfonyl)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-(methylsulfonyl)benzene?
The CAS number of 1-Chloro-4-(methylsulfonyl)benzene is 98-57-7.
What is the molecular formula of 1-Chloro-4-(methylsulfonyl)benzene?
The molecular formula of 1-Chloro-4-(methylsulfonyl)benzene is C7H7ClO2S.
What is the molecular weight of 1-Chloro-4-(methylsulfonyl)benzene?
The molecular weight of 1-Chloro-4-(methylsulfonyl)benzene is 189.98553 g/mol.
What are the applications of 1-Chloro-4-(methylsulfonyl)benzene?
1-Chloro-4-(methylsulfonyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 1-Chloro-4-(methylsulfonyl)benzene?
You can request a quote for 1-Chloro-4-(methylsulfonyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-4-(methylsulfonyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-4-(methylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.