![1,1'-Oxybis[2,4,6-trinitrobenzene] structure](/static/products/634/63441-08-7.png)
1,1'-Oxybis[2,4,6-trinitrobenzene]
TL;DR: 1,1'-Oxybis[2,4,6-trinitrobenzene] (CAS 63441-08-7) is a chemical compound with molecular formula C12H4N6O13 and molecular weight 439.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene
Also Known As: Pikrylather, 1,1'-Oxybis, 1,1'-Oxybis(2,4,6-trinitrobenzene), EINECS 264-146-9, Ex138
| Molecular Formula | C12H4N6O13 |
|---|---|
| Molecular Weight | 439.98 g/mol |
| LogP | 2.9281 |
| Topological Polar Surface Area | 268.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.98364 |
| Heavy Atoms | 31 |
| Complexity | 1029.9912 |
Chemical Identifiers
| CAS Number | 63441-08-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,1'-Oxybis[2,4,6-trinitrobenzene] (CAS 63441-08-7), with molecular formula C12H4N6O13 and molecular weight 439.98 g/mol. IUPAC: 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene.
Chemical Property Profile of 1,1'-Oxybis[2,4,6-trinitrobenzene]
Property Insights of 1,1'-Oxybis[2,4,6-trinitrobenzene]
The XLogP value of 2.9281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Oxybis[2,4,6-trinitrobenzene]. The TPSA of 268.07 Ų indicates high polarity, suggesting 1,1'-Oxybis[2,4,6-trinitrobenzene] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Oxybis[2,4,6-trinitrobenzene] has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Oxybis[2,4,6-trinitrobenzene]?
The CAS number of 1,1'-Oxybis[2,4,6-trinitrobenzene] is 63441-08-7.
What is the molecular formula of 1,1'-Oxybis[2,4,6-trinitrobenzene]?
The molecular formula of 1,1'-Oxybis[2,4,6-trinitrobenzene] is C12H4N6O13.
What is the molecular weight of 1,1'-Oxybis[2,4,6-trinitrobenzene]?
The molecular weight of 1,1'-Oxybis[2,4,6-trinitrobenzene] is 439.98 g/mol.
Where can I buy 1,1'-Oxybis[2,4,6-trinitrobenzene]?
You can request a quote for 1,1'-Oxybis[2,4,6-trinitrobenzene] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Oxybis[2,4,6-trinitrobenzene]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Oxybis[2,4,6-trinitrobenzene] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.