N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 864424-02-2) is a chemical compound with molecular formula C13H7BrF3N3O4 and molecular weight 404.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-(4-Bromophenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine, N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline, (4-bromophenyl)[2,6-dinitro-4-(trifluoromethyl)phenyl]amine
| Molecular Formula | C13H7BrF3N3O4 |
|---|---|
| Molecular Weight | 404.96 g/mol |
| LogP | 5.0279 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.9572 |
| Heavy Atoms | 24 |
| Complexity | 774.0946 |
Chemical Identifiers
| CAS Number | 864424-02-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Br |
Product Overview
N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 864424-02-2), with molecular formula C13H7BrF3N3O4 and molecular weight 404.96 g/mol. IUPAC: N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 5.0279 indicates that N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 864424-02-2.
What is the molecular formula of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is C13H7BrF3N3O4.
What is the molecular weight of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 404.96 g/mol.
Where can I buy N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.