4-Nitrobenzyl bromide
TL;DR: 4-Nitrobenzyl bromide (CAS 100-11-8) is a chemical compound with molecular formula C7H6BrNO2 and molecular weight 214.95819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(bromomethyl)-4-nitrobenzene
Also Known As: 4-Nitrobenzyl bromide, p-Nitrobenzyl bromide, 1-(Bromomethyl)-4-nitrobenzene, Nitrobenzyl bromide, 4-Nitrobenzylbromide
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 214.95819 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.95819 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | C1=CC(=CC=C1CBr)[N+](=O)[O-] |
| InChIKey | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrobenzyl bromide
Property Insights of 4-Nitrobenzyl bromide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl bromide. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitrobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrobenzyl 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 4-Nitrobenzyl bromide?
The CAS number of 4-Nitrobenzyl bromide is 100-11-8.
What is the molecular formula of 4-Nitrobenzyl bromide?
The molecular formula of 4-Nitrobenzyl bromide is C7H6BrNO2.
What is the molecular weight of 4-Nitrobenzyl bromide?
The molecular weight of 4-Nitrobenzyl bromide is 214.95819 g/mol.
Where can I buy 4-Nitrobenzyl bromide?
You can request a quote for 4-Nitrobenzyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrobenzyl bromide?
Yes, CoreyChem provides custom synthesis services for 4-Nitrobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.