4-Bromophenylchloromethyl sulfone
TL;DR: 4-Bromophenylchloromethyl sulfone (CAS 54091-06-4) is a chemical compound with molecular formula C7H6BrClO2S and molecular weight 267.89603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-(chloromethylsulfonyl)benzene
Also Known As: BPCMS, 4-Bromophenyl chloromethyl sulfone, 4-Bromophenylchloromethyl sulfone, 1-bromo-4-(chloromethylsulfonyl)benzene, 1-BROMO-4-((CHLOROMETHYL)SULFONYL)BENZENE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 267.89603 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.89603 Da |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)CCl)Br |
| InChIKey | AHXUVTKVCMOKIX-UHFFFAOYSA-N |
Product Description
Applications: 4-Bromophenylchloromethyl sulfone is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Bromophenylchloromethyl sulfone (CAS 54091-06-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Bromophenylchloromethyl sulfone is a agrochemical intermediate identified by CAS number 54091-06-4 and the molecular formula C7H6BrClO2S and a molecular weight of 267.9 g/mol. It is also known as BPCMS and 4-Bromophenyl chloromethyl sulfone.
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 4-Bromophenylchloromethyl sulfone
Property Insights of 4-Bromophenylchloromethyl sulfone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenylchloromethyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Bromophenylchloromethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenylchloromethyl sulfone 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 4-Bromophenylchloromethyl sulfone?
The CAS number of 4-Bromophenylchloromethyl sulfone is 54091-06-4.
What is the molecular formula of 4-Bromophenylchloromethyl sulfone?
The molecular formula of 4-Bromophenylchloromethyl sulfone is C7H6BrClO2S.
What is the molecular weight of 4-Bromophenylchloromethyl sulfone?
The molecular weight of 4-Bromophenylchloromethyl sulfone is 267.89603 g/mol.
What are the applications of 4-Bromophenylchloromethyl sulfone?
4-Bromophenylchloromethyl sulfone is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 4-Bromophenylchloromethyl sulfone?
You can request a quote for 4-Bromophenylchloromethyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenylchloromethyl sulfone?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenylchloromethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.