3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 133229-86-4) is a chemical compound with molecular formula C14H4Br2ClF6N3O4 and molecular weight 584.8161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline, 3-chloro-N-[2,6-dibromo-4-(trifluoromethyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[2,6-dibromo-4-trifluoromethylphenyl]benzenamine
Technical Specifications
| Molecular Formula | C14H4Br2ClF6N3O4 |
| Molecular Weight | 584.8161 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 584.8161 Da |
| Heavy Atoms | 30 |
| Complexity | 650.0 |
| SMILES | C1=C(C=C(C(=C1Br)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Br)C(F)(F)F |
| InChIKey | UQARLMGJQYUHJO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 7.5 indicates that 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-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 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 133229-86-4.
What is the molecular formula of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is C14H4Br2ClF6N3O4.
What is the molecular weight of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 584.8161 g/mol.
Where can I buy 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-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 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-N-(2,6-dibromo-4-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.