Benzene, 1,4-bis(dinitromethyl)-
TL;DR: Benzene, 1,4-bis(dinitromethyl)- (CAS 27955-44-8) is a chemical compound with molecular formula C8H6N4O8 and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(dinitromethyl)benzene
Also Known As: Tetranitroxylene, Xylene, tetranitro-, 1,4-bis(dinitromethyl)benzene, 1,4-bis benzene, p-Bis(dinitromethyl)benzene
| Molecular Formula | C8H6N4O8 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.01855 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 27955-44-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C([N+](=O)[O-])[N+](=O)[O-])C([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KMRRAUKINNGJAR-UHFFFAOYSA-N |
Product Overview
Benzene, 1,4-bis(dinitromethyl)- (CAS 27955-44-8), with molecular formula C8H6N4O8 and molecular weight 286.02 g/mol. IUPAC: 1,4-bis(dinitromethyl)benzene.
Chemical Property Profile of Benzene, 1,4-bis(dinitromethyl)-
Property Insights of Benzene, 1,4-bis(dinitromethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,4-bis(dinitromethyl)-. The TPSA of 183.0 Ų indicates high polarity, suggesting Benzene, 1,4-bis(dinitromethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene, 1,4-bis(dinitromethyl)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1,4-bis(dinitromethyl)-?
The CAS number of Benzene, 1,4-bis(dinitromethyl)- is 27955-44-8.
What is the molecular formula of Benzene, 1,4-bis(dinitromethyl)-?
The molecular formula of Benzene, 1,4-bis(dinitromethyl)- is C8H6N4O8.
What is the molecular weight of Benzene, 1,4-bis(dinitromethyl)-?
The molecular weight of Benzene, 1,4-bis(dinitromethyl)- is 286.02 g/mol.
Where can I buy Benzene, 1,4-bis(dinitromethyl)-?
You can request a quote for Benzene, 1,4-bis(dinitromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,4-bis(dinitromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,4-bis(dinitromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.