N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 133229-78-4) is a chemical compound with molecular formula C13H6BrClF3N3O4 and molecular weight 438.91824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline, Benzenamine, N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)-, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[4-bromophenyl]benzenamine
Technical Specifications
| Molecular Formula | C13H6BrClF3N3O4 |
| Molecular Weight | 438.91824 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.91824 Da |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Br |
| InChIKey | LVGFRUUNPMKFOU-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 5.9 indicates that N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline 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-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline is 133229-78-4.
What is the molecular formula of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline is C13H6BrClF3N3O4.
What is the molecular weight of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline is 438.91824 g/mol.
Where can I buy N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for N-(4-bromophenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.