![2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline structure](/static/products/8452/84529-30-6.webp)
2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline
TL;DR: 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline (CAS 84529-30-6) is a chemical compound with molecular formula C14H5Cl5F3N3O4 and molecular weight 510.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline
Also Known As: 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline, 2,3,4,5,6-Pentachloro-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-N-methylbenzenamine, Benzenamine, 2,3,4,5,6-pentachloro-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-N-methyl-, 2,3,4,5,6-Pentachloro-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-N-methylaniline, Benzenamine, 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methyl-
| Molecular Formula | C14H5Cl5F3N3O4 |
|---|---|
| Molecular Weight | 510.87 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 510.8675 |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 84529-30-6 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | QCNBRGOYZQMSSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline (CAS 84529-30-6), with molecular formula C14H5Cl5F3N3O4 and molecular weight 510.87 g/mol. IUPAC: 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline.
Chemical Property Profile of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline
Property Insights of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline
The XLogP value of 7.3 indicates that 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline 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 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline. Following Lipinski's Rule of Five, 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline 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 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline?
The CAS number of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline is 84529-30-6.
What is the molecular formula of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline?
The molecular formula of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline is C14H5Cl5F3N3O4.
What is the molecular weight of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline?
The molecular weight of 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline is 510.87 g/mol.
Where can I buy 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline?
You can request a quote for 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-pentachloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.