p-Bromoacetophenone
TL;DR: p-Bromoacetophenone (CAS 99-90-1) is a chemical compound with molecular formula C8H7BrO and molecular weight 197.96803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)ethanone
Also Known As: 4'-Bromoacetophenone, p-Bromoacetophenone, 1-(4-Bromophenyl)ethanone, 4-BROMOACETOPHENONE, 1-(4-bromophenyl)ethan-1-one
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7BrO |
| Molecular Weight | 197.96803 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.96803 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)Br |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
Product Description
Applications: p-Bromoacetophenone 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. CoreyChem supplies p-Bromoacetophenone (CAS 99-90-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
p-Bromoacetophenone (CAS 99-90-1) is a heterocyclic building block with the molecular formula C8H7BrO and a molecular weight of 197.97 g/mol. It is also known as 4'-Bromoacetophenone and p-Bromoacetophenone.
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 p-Bromoacetophenone
Property Insights of p-Bromoacetophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Bromoacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, p-Bromoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromoacetophenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Bromoacetophenone?
The CAS number of p-Bromoacetophenone is 99-90-1.
What is the molecular formula of p-Bromoacetophenone?
The molecular formula of p-Bromoacetophenone is C8H7BrO.
What is the molecular weight of p-Bromoacetophenone?
The molecular weight of p-Bromoacetophenone is 197.96803 g/mol.
What are the applications of p-Bromoacetophenone?
p-Bromoacetophenone 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. CoreyChem supplies p-Bromoacetophenone (CAS 99-90-1)...
Where can I buy p-Bromoacetophenone?
You can request a quote for p-Bromoacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Bromoacetophenone?
Yes, CoreyChem provides custom synthesis services for p-Bromoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.