Trinitroethyl orthocarbonate
TL;DR: Trinitroethyl orthocarbonate (CAS 14548-58-4) is a chemical compound with molecular formula C9H8N12O28 and molecular weight 731.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane
Also Known As: TNEOC, Trinitroethylorthocarbonate, Trinitroethyl orthocarbonate, Tetrabis(2,2,2-trinitroethyl(orthocarbonate, Tetrakis(trinitroethyl) orthocarbonate
| Molecular Formula | C9H8N12O28 |
|---|---|
| Molecular Weight | 731.96 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 587.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 12 |
| Exact Mass | 731.9571 |
| Heavy Atoms | 49 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 14548-58-4 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JPTHXHQVODRICI-UHFFFAOYSA-N |
Product Overview
Trinitroethyl orthocarbonate (CAS 14548-58-4), with molecular formula C9H8N12O28 and molecular weight 731.96 g/mol. IUPAC: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane.
Chemical Property Profile of Trinitroethyl orthocarbonate
Property Insights of Trinitroethyl orthocarbonate
The XLogP value of -1.0 indicates that Trinitroethyl orthocarbonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 587.0 Ų indicates high polarity, suggesting Trinitroethyl orthocarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinitroethyl orthocarbonate has 0 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trinitroethyl orthocarbonate?
The CAS number of Trinitroethyl orthocarbonate is 14548-58-4.
What is the molecular formula of Trinitroethyl orthocarbonate?
The molecular formula of Trinitroethyl orthocarbonate is C9H8N12O28.
What is the molecular weight of Trinitroethyl orthocarbonate?
The molecular weight of Trinitroethyl orthocarbonate is 731.96 g/mol.
Where can I buy Trinitroethyl orthocarbonate?
You can request a quote for Trinitroethyl orthocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trinitroethyl orthocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Trinitroethyl orthocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.