Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene
TL;DR: Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene (CAS 94248-50-7) is a chemical compound with molecular formula C18H6N8O18 and molecular weight 621.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene
Also Known As: EINECS 304-323-0, Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene, 1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene, 1,1'-[(3,4-Dinitro-1,2-phenylene)bis(oxy)]bis(2,4,6-trinitrobenzene)
| Molecular Formula | C18H6N8O18 |
|---|---|
| Molecular Weight | 621.98 g/mol |
| LogP | 4.5368 |
| Topological Polar Surface Area | 363.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 621.98 |
| Heavy Atoms | 44 |
| Complexity | 1785.6633 |
Chemical Identifiers
| CAS Number | 94248-50-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene (CAS 94248-50-7), with molecular formula C18H6N8O18 and molecular weight 621.98 g/mol. IUPAC: 1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene.
Chemical Property Profile of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene
Property Insights of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene
The XLogP value of 4.5368 indicates that Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 363.58 Ų indicates high polarity, suggesting Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The CAS number of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene is 94248-50-7.
What is the molecular formula of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The molecular formula of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene is C18H6N8O18.
What is the molecular weight of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The molecular weight of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene is 621.98 g/mol.
Where can I buy Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
You can request a quote for Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.