2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine
TL;DR: 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine (CAS 84529-55-5) is a chemical compound with molecular formula C14H7Br2F4N3O4 and molecular weight 514.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Also Known As: 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine, Benzenamine, 2,6-dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methyl-, 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylaniline, 2,6-Dibromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-fluoro-N-methylaniline, N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
| Molecular Formula | C14H7Br2F4N3O4 |
|---|---|
| Molecular Weight | 514.87 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.87396 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 84529-55-5 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)F)Br |
| InChIKey | DWKAOWMMVKDGNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine (CAS 84529-55-5), with molecular formula C14H7Br2F4N3O4 and molecular weight 514.87 g/mol. IUPAC: N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline.
Chemical Property Profile of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine
Property Insights of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine
The XLogP value of 5.6 indicates that 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine. Following Lipinski's Rule of Five, 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine?
The CAS number of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine is 84529-55-5.
What is the molecular formula of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine?
The molecular formula of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine is C14H7Br2F4N3O4.
What is the molecular weight of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine?
The molecular weight of 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine is 514.87 g/mol.
Where can I buy 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine?
You can request a quote for 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-N-methylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.