3-Methyl-4-nitrobenzyl bromide
TL;DR: 3-Methyl-4-nitrobenzyl bromide (CAS 141281-38-1) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)-2-methyl-1-nitrobenzene
Also Known As: 3-Methyl-4-nitrobenzyl bromide, 4-(bromomethyl)-2-methyl-1-nitrobenzene, 3-methyl-4-nitrobenzylbromide, 4-(bromomethyl)-2-methyl-1-nitro-benzene, 3-Methyl-4-nitrobenzyl bromide, 97%
Technical Specifications
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 228.97385 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 | 228.97385 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | CC1=C(C=CC(=C1)CBr)[N+](=O)[O-] |
| InChIKey | WOUWGCLQOJPWHS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4-nitrobenzyl bromide
Property Insights of 3-Methyl-4-nitrobenzyl bromide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrobenzyl bromide. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Methyl-4-nitrobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-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 3-Methyl-4-nitrobenzyl bromide?
The CAS number of 3-Methyl-4-nitrobenzyl bromide is 141281-38-1.
What is the molecular formula of 3-Methyl-4-nitrobenzyl bromide?
The molecular formula of 3-Methyl-4-nitrobenzyl bromide is C8H8BrNO2.
What is the molecular weight of 3-Methyl-4-nitrobenzyl bromide?
The molecular weight of 3-Methyl-4-nitrobenzyl bromide is 228.97385 g/mol.
Where can I buy 3-Methyl-4-nitrobenzyl bromide?
You can request a quote for 3-Methyl-4-nitrobenzyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-nitrobenzyl bromide?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-nitrobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.