1-Bromo-2-chloro-3,5-dinitrobenzene
TL;DR: 1-Bromo-2-chloro-3,5-dinitrobenzene (CAS 51796-81-7) is a chemical compound with molecular formula C6H2BrClN2O4 and molecular weight 279.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-chloro-3,5-dinitrobenzene
Also Known As: 1-Bromo-2-chloro-3,5-dinitrobenzene, 2-Bromo-4,6-dinitrochlorobenzene, 1-Chloro-2-bromo-4,6-dinitrobenzene, 1-Chlor-2-brom-4.6-dinitrobenzol, 2-Bromo-1-chloro-4,6-dinitrobenzene
| Molecular Formula | C6H2BrClN2O4 |
|---|---|
| Molecular Weight | 279.89 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.88864 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 51796-81-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)Br)[N+](=O)[O-] |
| InChIKey | DWZNTFFZRWJFSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-chloro-3,5-dinitrobenzene (CAS 51796-81-7), with molecular formula C6H2BrClN2O4 and molecular weight 279.89 g/mol. IUPAC: 1-bromo-2-chloro-3,5-dinitrobenzene.
Chemical Property Profile of 1-Bromo-2-chloro-3,5-dinitrobenzene
Property Insights of 1-Bromo-2-chloro-3,5-dinitrobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-chloro-3,5-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-2-chloro-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 1-Bromo-2-chloro-3,5-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-chloro-3,5-dinitrobenzene?
The CAS number of 1-Bromo-2-chloro-3,5-dinitrobenzene is 51796-81-7.
What is the molecular formula of 1-Bromo-2-chloro-3,5-dinitrobenzene?
The molecular formula of 1-Bromo-2-chloro-3,5-dinitrobenzene is C6H2BrClN2O4.
What is the molecular weight of 1-Bromo-2-chloro-3,5-dinitrobenzene?
The molecular weight of 1-Bromo-2-chloro-3,5-dinitrobenzene is 279.89 g/mol.
Where can I buy 1-Bromo-2-chloro-3,5-dinitrobenzene?
You can request a quote for 1-Bromo-2-chloro-3,5-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-chloro-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-chloro-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.