N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
TL;DR: N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline (CAS 84529-59-9) is a chemical compound with molecular formula C14H8BrClF3N3O4 and molecular weight 452.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Also Known As: N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline, N-(2-Bromo-4-chlorophenyl)-2,4-dinitro-N-methyl-6-(trifluoromethyl)benzenamine, Benzenamine, N-(2-bromo-4-chlorophenyl)-2,4-dinitro-N-methyl-6-(trifluoromethyl)-, Benzenamine, N-(2-bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-, RefChem:322975
| Molecular Formula | C14H8BrClF3N3O4 |
|---|---|
| Molecular Weight | 452.93 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.93387 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 84529-59-9 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1)Cl)Br)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| InChIKey | IBPFENASYMFEQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline (CAS 84529-59-9), with molecular formula C14H8BrClF3N3O4 and molecular weight 452.93 g/mol. IUPAC: N-(2-bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline.
Chemical Property Profile of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Property Insights of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
The XLogP value of 5.5 indicates that N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline 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 N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The CAS number of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is 84529-59-9.
What is the molecular formula of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The molecular formula of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is C14H8BrClF3N3O4.
What is the molecular weight of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The molecular weight of N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is 452.93 g/mol.
Where can I buy N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
You can request a quote for N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.