3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline
TL;DR: 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline (CAS 133229-79-5) is a chemical compound with molecular formula C14H6ClF6N3O5 and molecular weight 444.99002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,6-dinitro-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)aniline
Also Known As: C14-H6-Cl-F6-N3-O5\r\n, 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline, 3-chloro-2,6-dinitro-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)aniline, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[4-trifluoromethoxyphenyl]benzenamine
Technical Specifications
| Molecular Formula | C14H6ClF6N3O5 |
| Molecular Weight | 444.99002 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.99002 Da |
| Heavy Atoms | 29 |
| Complexity | 603.0 |
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])OC(F)(F)F |
| InChIKey | RENXXTLHOPGVTP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline
Property Insights of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline
The XLogP value of 6.4 indicates that 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline?
The CAS number of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline is 133229-79-5.
What is the molecular formula of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline?
The molecular formula of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline is C14H6ClF6N3O5.
What is the molecular weight of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline?
The molecular weight of 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline is 444.99002 g/mol.
Where can I buy 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline?
You can request a quote for 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2,6-dinitro-N-(4-(trifluoromethoxy)phenyl)-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.