Phenylmagnesium bromide
TL;DR: Phenylmagnesium bromide (CAS 100-58-3) is a chemical compound with molecular formula C6H5BrMg and molecular weight 179.9425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium;benzene;bromide
Also Known As: phenylmagnesium bromide, Bromophenylmagnesium, Magnesium, bromophenyl-, PhMgBr, Bromomagnesiobenzene
Technical Specifications
| Molecular Formula | C6H5BrMg |
| Molecular Weight | 179.9425 g/mol |
| XLogP | -1.89 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.9425 Da |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
| Density | 1.14 |
| SMILES | C1=CC=[C-]C=C1.[Mg+2].[Br-] |
| InChIKey | NIXOIRLDFIPNLJ-UHFFFAOYSA-M |
Chemical Property Profile of Phenylmagnesium bromide
Property Insights of Phenylmagnesium bromide
The XLogP value of -1.89 indicates that Phenylmagnesium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Phenylmagnesium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmagnesium bromide 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 Phenylmagnesium bromide?
The CAS number of Phenylmagnesium bromide is 100-58-3.
What is the molecular formula of Phenylmagnesium bromide?
The molecular formula of Phenylmagnesium bromide is C6H5BrMg.
What is the molecular weight of Phenylmagnesium bromide?
The molecular weight of Phenylmagnesium bromide is 179.9425 g/mol.
Where can I buy Phenylmagnesium bromide?
You can request a quote for Phenylmagnesium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylmagnesium bromide?
Yes, CoreyChem provides custom synthesis services for Phenylmagnesium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.