1-Bromo-2,4-dinitrobenzene
TL;DR: 1-Bromo-2,4-dinitrobenzene (CAS 584-48-5) is a chemical compound with molecular formula C6H3BrN2O4 and molecular weight 245.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,4-dinitrobenzene
Also Known As: 1-Bromo-2,4-dinitrobenzene, 2,4-Dinitrobromobenzene, 4-Bromo-1,3-dinitrobenzene, o,p-Dinitrophenyl bromide, DNBB
| Molecular Formula | C6H3BrN2O4 |
|---|---|
| Molecular Weight | 245.93 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.92763 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 584-48-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br |
| InChIKey | PBOPJYORIDJAFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2,4-dinitrobenzene (CAS 584-48-5), with molecular formula C6H3BrN2O4 and molecular weight 245.93 g/mol. IUPAC: 1-bromo-2,4-dinitrobenzene.
Chemical Property Profile of 1-Bromo-2,4-dinitrobenzene
Property Insights of 1-Bromo-2,4-dinitrobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2,4-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Bromo-2,4-dinitrobenzene 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 1-Bromo-2,4-dinitrobenzene?
The CAS number of 1-Bromo-2,4-dinitrobenzene is 584-48-5.
What is the molecular formula of 1-Bromo-2,4-dinitrobenzene?
The molecular formula of 1-Bromo-2,4-dinitrobenzene is C6H3BrN2O4.
What is the molecular weight of 1-Bromo-2,4-dinitrobenzene?
The molecular weight of 1-Bromo-2,4-dinitrobenzene is 245.93 g/mol.
Where can I buy 1-Bromo-2,4-dinitrobenzene?
You can request a quote for 1-Bromo-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.