2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline
TL;DR: 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline (CAS 133229-91-1) is a chemical compound with molecular formula C15H2Cl4F9N3O4 and molecular weight 598.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline
Also Known As: 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline, 2,4,6-trichloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[2,4,6-trichloro-3,5-bis(trifluoromethyl)phenyl]benzenamine
| Molecular Formula | C15H2Cl4F9N3O4 |
|---|---|
| Molecular Weight | 598.87 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 598.86554 |
| Heavy Atoms | 35 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 133229-91-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C(=C(C(=C2Cl)C(F)(F)F)Cl)C(F)(F)F)Cl)[N+](=O)[O-])Cl)C(F)(F)F |
| InChIKey | VBNVXMYMLGGLEF-UHFFFAOYSA-N |
Product Overview
2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline (CAS 133229-91-1), with molecular formula C15H2Cl4F9N3O4 and molecular weight 598.87 g/mol. IUPAC: 2,4,6-trichloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline.
Chemical Property Profile of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline
Property Insights of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline
The XLogP value of 8.8 indicates that 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(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 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline?
The CAS number of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline is 133229-91-1.
What is the molecular formula of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline?
The molecular formula of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline is C15H2Cl4F9N3O4.
What is the molecular weight of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline?
The molecular weight of 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline is 598.87 g/mol.
Where can I buy 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline?
You can request a quote for 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-3,5-bis(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.