2,4-Dinitro-3-phenylaniline
TL;DR: 2,4-Dinitro-3-phenylaniline (CAS 103859-53-6) is a chemical compound with molecular formula C12H9N3O4 and molecular weight 259.0593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitro-3-phenylaniline
Also Known As: 2,4-dinitro-3-phenylaniline, 2,6-dinitrobiphenyl-3-amine, 2,6-Dinitro-3-amino-biphenyl
Technical Specifications
| Molecular Formula | C12H9N3O4 |
| Molecular Weight | 259.0593 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0593 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C=CC(=C2[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | KGCAZJMUAQTEPM-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dinitro-3-phenylaniline
Property Insights of 2,4-Dinitro-3-phenylaniline
The XLogP value of 3.1 indicates that 2,4-Dinitro-3-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-3-phenylaniline. Following Lipinski's Rule of Five, 2,4-Dinitro-3-phenylaniline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dinitro-3-phenylaniline?
The CAS number of 2,4-Dinitro-3-phenylaniline is 103859-53-6.
What is the molecular formula of 2,4-Dinitro-3-phenylaniline?
The molecular formula of 2,4-Dinitro-3-phenylaniline is C12H9N3O4.
What is the molecular weight of 2,4-Dinitro-3-phenylaniline?
The molecular weight of 2,4-Dinitro-3-phenylaniline is 259.0593 g/mol.
Where can I buy 2,4-Dinitro-3-phenylaniline?
You can request a quote for 2,4-Dinitro-3-phenylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dinitro-3-phenylaniline?
Yes, CoreyChem provides custom synthesis services for 2,4-Dinitro-3-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.