2,2',4,4',6,6'-Hexanitroazobenzene
TL;DR: 2,2',4,4',6,6'-Hexanitroazobenzene (CAS 19159-68-3) is a chemical compound with molecular formula C12H4N8O12 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4,6-trinitrophenyl)diazene
Also Known As: Hexanitroazoxy benzene, Diazene, bis(2,4,6-trinitrophenyl)-, bis(2,4,6-trinitrophenyl)diazene, 2,2',4,4',6,6'-Hexanitroazobenzene, EINECS 242-850-7
| Molecular Formula | C12H4N8O12 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.99487 |
| Heavy Atoms | 32 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 19159-68-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PSDIVOYKWCKHLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',4,4',6,6'-Hexanitroazobenzene (CAS 19159-68-3), with molecular formula C12H4N8O12 and molecular weight 451.99 g/mol. IUPAC: bis(2,4,6-trinitrophenyl)diazene.
Chemical Property Profile of 2,2',4,4',6,6'-Hexanitroazobenzene
Property Insights of 2,2',4,4',6,6'-Hexanitroazobenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4,4',6,6'-Hexanitroazobenzene. The TPSA of 300.0 Ų indicates high polarity, suggesting 2,2',4,4',6,6'-Hexanitroazobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',4,4',6,6'-Hexanitroazobenzene has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',4,4',6,6'-Hexanitroazobenzene?
The CAS number of 2,2',4,4',6,6'-Hexanitroazobenzene is 19159-68-3.
What is the molecular formula of 2,2',4,4',6,6'-Hexanitroazobenzene?
The molecular formula of 2,2',4,4',6,6'-Hexanitroazobenzene is C12H4N8O12.
What is the molecular weight of 2,2',4,4',6,6'-Hexanitroazobenzene?
The molecular weight of 2,2',4,4',6,6'-Hexanitroazobenzene is 451.99 g/mol.
Where can I buy 2,2',4,4',6,6'-Hexanitroazobenzene?
You can request a quote for 2,2',4,4',6,6'-Hexanitroazobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,4',6,6'-Hexanitroazobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4',6,6'-Hexanitroazobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.