N-(2-bromophenyl)-2,4-dinitroaniline
TL;DR: N-(2-bromophenyl)-2,4-dinitroaniline (CAS 1154-93-4) is a chemical compound with molecular formula C12H8BrN3O4 and molecular weight 336.96982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromophenyl)-2,4-dinitroaniline
Also Known As: N-(2-bromophenyl)-2,4-dinitroaniline, N-(2-bromophenyl)-2,4-dinitro-aniline, (2-bromo-phenyl)-(2,4-dinitro-phenyl)-amine
Technical Specifications
| Molecular Formula | C12H8BrN3O4 |
| Molecular Weight | 336.96982 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.96982 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br |
| InChIKey | IUPSTJLQWCSJFT-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-bromophenyl)-2,4-dinitroaniline
Property Insights of N-(2-bromophenyl)-2,4-dinitroaniline
The XLogP value of 4.5 indicates that N-(2-bromophenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-bromophenyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(2-bromophenyl)-2,4-dinitroaniline 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 N-(2-bromophenyl)-2,4-dinitroaniline?
The CAS number of N-(2-bromophenyl)-2,4-dinitroaniline is 1154-93-4.
What is the molecular formula of N-(2-bromophenyl)-2,4-dinitroaniline?
The molecular formula of N-(2-bromophenyl)-2,4-dinitroaniline is C12H8BrN3O4.
What is the molecular weight of N-(2-bromophenyl)-2,4-dinitroaniline?
The molecular weight of N-(2-bromophenyl)-2,4-dinitroaniline is 336.96982 g/mol.
Where can I buy N-(2-bromophenyl)-2,4-dinitroaniline?
You can request a quote for N-(2-bromophenyl)-2,4-dinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-bromophenyl)-2,4-dinitroaniline?
Yes, CoreyChem provides custom synthesis services for N-(2-bromophenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.