p-Xylyl bromide
TL;DR: p-Xylyl bromide (CAS 104-81-4) is a chemical compound with molecular formula C8H9Br and molecular weight 183.98875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
对甲基苄溴
1-(bromomethyl)-4-methylbenzene
Also Known As: 4-Methylbenzyl bromide, 1-(Bromomethyl)-4-methylbenzene, P-XYLYL BROMIDE, alpha-Bromo-p-xylene, p-Methylbenzyl bromide
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Br |
| Molecular Weight | 183.98875 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98875 Da |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Melting Point | 34 °C |
| Boiling Point | 220 °C |
| Density | 1.324 g/cu cm at 25 °C |
| Flash Point | 98 °C (208 °F) - closed cup |
| Vapor Pressure | 0.09 [mmHg] |
| Solubility | Insoluble in water |
| SMILES | CC1=CC=C(C=C1)CBr |
| InChIKey | WZRKSPFYXUXINF-UHFFFAOYSA-N |
Chemical Property Profile of p-Xylyl bromide
Property Insights of p-Xylyl bromide
The XLogP value of 3.0 indicates that p-Xylyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-Xylyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Xylyl bromide has 0 hydrogen bond donor(s) and 0 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-Xylyl bromide?
The CAS number of p-Xylyl bromide is 104-81-4.
What is the molecular formula of p-Xylyl bromide?
The molecular formula of p-Xylyl bromide is C8H9Br.
What is the molecular weight of p-Xylyl bromide?
The molecular weight of p-Xylyl bromide is 183.98875 g/mol.
Where can I buy p-Xylyl bromide?
You can request a quote for p-Xylyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Xylyl bromide?
Yes, CoreyChem provides custom synthesis services for p-Xylyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.