2,3,4,6-Tetranitroaniline
TL;DR: 2,3,4,6-Tetranitroaniline (CAS 3698-54-2) is a chemical compound with molecular formula C6H3N5O8 and molecular weight 273.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,6-tetranitroaniline
Also Known As: Tetranitroaniline, 2,3,4,6-Tetranitroaniline, Tetranitraniline, Tetranitraniline [French], Benzenamine, 2,3,4,6-tetranitro-
| Molecular Formula | C6H3N5O8 |
|---|---|
| Molecular Weight | 273.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.99817 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 3698-54-2 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | UKUDSMQEWVNCOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,6-Tetranitroaniline (CAS 3698-54-2), with molecular formula C6H3N5O8 and molecular weight 273.00 g/mol. IUPAC: 2,3,4,6-tetranitroaniline.
Chemical Property Profile of 2,3,4,6-Tetranitroaniline
Property Insights of 2,3,4,6-Tetranitroaniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,6-Tetranitroaniline. The TPSA of 209.0 Ų indicates high polarity, suggesting 2,3,4,6-Tetranitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,6-Tetranitroaniline has 1 hydrogen bond donor(s) and 9 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 2,3,4,6-Tetranitroaniline?
The CAS number of 2,3,4,6-Tetranitroaniline is 3698-54-2.
What is the molecular formula of 2,3,4,6-Tetranitroaniline?
The molecular formula of 2,3,4,6-Tetranitroaniline is C6H3N5O8.
What is the molecular weight of 2,3,4,6-Tetranitroaniline?
The molecular weight of 2,3,4,6-Tetranitroaniline is 273.00 g/mol.
Where can I buy 2,3,4,6-Tetranitroaniline?
You can request a quote for 2,3,4,6-Tetranitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,6-Tetranitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,6-Tetranitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.