2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl
TL;DR: 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl (CAS 33491-88-2) is a chemical compound with molecular formula C18H6N8O16 and molecular weight 589.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene
Also Known As: Octanite, 6,6',6-octanitro-m-terphenyl, 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl, J1.388.198G, 2,2,4,4',4,6,6',6-Octanitro-m-terphenyl
| Molecular Formula | C18H6N8O16 |
|---|---|
| Molecular Weight | 589.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 367.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 589.9902 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 33491-88-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ACFBFTOJGUDZAU-UHFFFAOYSA-N |
Product Overview
2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl (CAS 33491-88-2), with molecular formula C18H6N8O16 and molecular weight 589.99 g/mol. IUPAC: 2-[2,4-dinitro-5-(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene.
Chemical Property Profile of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl
Property Insights of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl
The XLogP value of 3.8 indicates that 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 367.0 Ų indicates high polarity, suggesting 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl has 0 hydrogen bond donor(s) and 16 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',4'',6,6',6''-Octanitro-m-terphenyl?
The CAS number of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl is 33491-88-2.
What is the molecular formula of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl?
The molecular formula of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl is C18H6N8O16.
What is the molecular weight of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl?
The molecular weight of 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl is 589.99 g/mol.
Where can I buy 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl?
You can request a quote for 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl 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',4'',6,6',6''-Octanitro-m-terphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2'',4,4',4'',6,6',6''-Octanitro-m-terphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.