3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline
TL;DR: 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline (CAS 133229-85-3) is a chemical compound with molecular formula C14H3Br3ClF6N3O4 and molecular weight 662.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,6-dinitro-N-[2,4,6-tribromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)aniline
Also Known As: 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline, 3-chloro-2,6-dinitro-N-[2,4,6-tribromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)aniline, 2,4,6-tribromo-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[2,4,6-tribromo-3-trifluoromethylphenyl]benzenamine
| Molecular Formula | C14H3Br3ClF6N3O4 |
|---|---|
| Molecular Weight | 662.73 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 662.7266 |
| Heavy Atoms | 31 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 133229-85-3 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=C2Br)C(F)(F)F)Br)Br)[N+](=O)[O-])Cl)C(F)(F)F |
| InChIKey | GUWBNZDWYMBEGE-UHFFFAOYSA-N |
Product Overview
3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline (CAS 133229-85-3), with molecular formula C14H3Br3ClF6N3O4 and molecular weight 662.73 g/mol. IUPAC: 3-chloro-2,6-dinitro-N-[2,4,6-tribromo-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline
Property Insights of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline
The XLogP value of 8.1 indicates that 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-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-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-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
Frequently Asked Questions
What is the CAS number of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline?
The CAS number of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline is 133229-85-3.
What is the molecular formula of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline?
The molecular formula of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline is C14H3Br3ClF6N3O4.
What is the molecular weight of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline?
The molecular weight of 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline is 662.73 g/mol.
Where can I buy 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline?
You can request a quote for 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-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 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2,6-dinitro-N-(2,4,6-tribromo-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.