Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-
TL;DR: Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- (CAS 5950-87-8) is a chemical compound with molecular formula C12H5N5O11 and molecular weight 395.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenoxy)-1,3,5-trinitrobenzene
Also Known As: 2-(2,4-dinitrophenoxy)-1,3,5-trinitrobenzene, Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-, Diphenyl ether, 2,4,6,2',4'-pentanitro-, 2.4.6.2'.4'-Pentanitro-diphenylaether, J1.117.020J
| Molecular Formula | C12H5N5O11 |
|---|---|
| Molecular Weight | 395.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.99857 |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 5950-87-8 |
|---|---|
| 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-] |
| InChIKey | UCAHGXFXBRSTPX-UHFFFAOYSA-N |
Product Overview
Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- (CAS 5950-87-8), with molecular formula C12H5N5O11 and molecular weight 395.00 g/mol. IUPAC: 2-(2,4-dinitrophenoxy)-1,3,5-trinitrobenzene.
Chemical Property Profile of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-
Property Insights of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-. The TPSA of 238.0 Ų indicates high polarity, suggesting Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-?
The CAS number of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- is 5950-87-8.
What is the molecular formula of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-?
The molecular formula of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- is C12H5N5O11.
What is the molecular weight of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-?
The molecular weight of Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- is 395.00 g/mol.
Where can I buy Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-?
You can request a quote for Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-(2,4-dinitrophenoxy)-1,3,5-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.