Phenacyl bromide
TL;DR: Phenacyl bromide (CAS 70-11-1) 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.
2-bromo-1-phenylethanone
Also Known As: 2-Bromoacetophenone, Phenacyl bromide, 2-Bromo-1-phenylethanone, Bromoacetophenone, phenacylbromide
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7BrO |
| Molecular Weight | 197.96803 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.96803 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Vapor Pressure | 0.01 [mmHg] |
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| InChIKey | LIGACIXOYTUXAW-UHFFFAOYSA-N |
Product Description
Applications: Phenacyl bromide 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).
Phenacyl bromide is a heterocyclic building block identified by CAS number 70-11-1 and the molecular formula C8H7BrO and a molecular weight of 197.97 g/mol. Synonyms include 2-Bromoacetophenone and Phenacyl bromide.
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 Phenacyl bromide
Property Insights of Phenacyl bromide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacyl bromide. With a topological polar surface area (TPSA) of 17.1 Ų, Phenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl bromide 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 Phenacyl bromide?
The CAS number of Phenacyl bromide is 70-11-1.
What is the molecular formula of Phenacyl bromide?
The molecular formula of Phenacyl bromide is C8H7BrO.
What is the molecular weight of Phenacyl bromide?
The molecular weight of Phenacyl bromide is 197.96803 g/mol.
What are the applications of Phenacyl bromide?
Phenacyl bromide 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...
Where can I buy Phenacyl bromide?
You can request a quote for Phenacyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenacyl bromide?
Yes, CoreyChem provides custom synthesis services for Phenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.