2,6-Dinitro-N-(2-nitrophenyl)aniline
TL;DR: 2,6-Dinitro-N-(2-nitrophenyl)aniline (CAS 56698-04-5) is a chemical compound with molecular formula C12H8N4O6 and molecular weight 304.04437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dinitro-N-(2-nitrophenyl)aniline
Also Known As: 2,6-Dinitro-N-(2-nitrophenyl)aniline, 2,6-dinitro-N- aniline, 2,2',6-Trinitrodiphenylamine, 2,6-Dinitro-N-(2-nitrophenyl)benzenamine, Benzenamine,2,6-dinitro-N-(2-nitrophenyl)-
Technical Specifications
| Molecular Formula | C12H8N4O6 |
| Molecular Weight | 304.04437 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.04437 Da |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| SMILES | C1=CC=C(C(=C1)NC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VZKAEJHHEJIINU-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dinitro-N-(2-nitrophenyl)aniline
Property Insights of 2,6-Dinitro-N-(2-nitrophenyl)aniline
The XLogP value of 3.3 indicates that 2,6-Dinitro-N-(2-nitrophenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,6-Dinitro-N-(2-nitrophenyl)aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dinitro-N-(2-nitrophenyl)aniline has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dinitro-N-(2-nitrophenyl)aniline?
The CAS number of 2,6-Dinitro-N-(2-nitrophenyl)aniline is 56698-04-5.
What is the molecular formula of 2,6-Dinitro-N-(2-nitrophenyl)aniline?
The molecular formula of 2,6-Dinitro-N-(2-nitrophenyl)aniline is C12H8N4O6.
What is the molecular weight of 2,6-Dinitro-N-(2-nitrophenyl)aniline?
The molecular weight of 2,6-Dinitro-N-(2-nitrophenyl)aniline is 304.04437 g/mol.
Where can I buy 2,6-Dinitro-N-(2-nitrophenyl)aniline?
You can request a quote for 2,6-Dinitro-N-(2-nitrophenyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dinitro-N-(2-nitrophenyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2,6-Dinitro-N-(2-nitrophenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.