2,4-Dinitrobenzyl bromide
TL;DR: 2,4-Dinitrobenzyl bromide (CAS 3013-38-5) is a chemical compound with molecular formula C7H5BrN2O4 and molecular weight 259.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2,4-dinitrobenzene
Also Known As: 2,4-DINITROBENZYL BROMIDE, 2,4-Dinitrobenzylbromide, 1-(bromomethyl)-2,4-dinitrobenzene, 2,4-Dinitrobenzylbromid, 2,4-DINITRO BENZYL BROMIDE
| Molecular Formula | C7H5BrN2O4 |
|---|---|
| Molecular Weight | 259.94 g/mol |
| LogP | 2.3979 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.94327 |
| Heavy Atoms | 14 |
| Complexity | 393.2762 |
Chemical Identifiers
| CAS Number | 3013-38-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CBr |
Product Overview
2,4-Dinitrobenzyl bromide (CAS 3013-38-5), with molecular formula C7H5BrN2O4 and molecular weight 259.94 g/mol. IUPAC: 1-(bromomethyl)-2,4-dinitrobenzene.
Chemical Property Profile of 2,4-Dinitrobenzyl bromide
Property Insights of 2,4-Dinitrobenzyl bromide
The XLogP value of 2.3979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrobenzyl bromide. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrobenzyl bromide. Following Lipinski's Rule of Five, 2,4-Dinitrobenzyl bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dinitrobenzyl bromide?
The CAS number of 2,4-Dinitrobenzyl bromide is 3013-38-5.
What is the molecular formula of 2,4-Dinitrobenzyl bromide?
The molecular formula of 2,4-Dinitrobenzyl bromide is C7H5BrN2O4.
What is the molecular weight of 2,4-Dinitrobenzyl bromide?
The molecular weight of 2,4-Dinitrobenzyl bromide is 259.94 g/mol.
Where can I buy 2,4-Dinitrobenzyl bromide?
You can request a quote for 2,4-Dinitrobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.