2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine
TL;DR: 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine (CAS 109825-50-5) is a chemical compound with molecular formula C16H14Cl3N3O4 and molecular weight 417.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4,6-dinitro-N-(2,4,6-trichlorophenyl)aniline
Also Known As: 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine, 2-tert-butyl-4,6-dinitro-N-(2,4,6-trichlorophenyl)aniline, Benzenamine, 2-(1,1-dimethylethyl)-4,6-dinitro-N-(2,4,6-trichlorophenyl)-, 2,4-dinitro-6-tert-butyl-N-(2,4,6-trichlorophenyl)aniline, RefChem:267131
| Molecular Formula | C16H14Cl3N3O4 |
|---|---|
| Molecular Weight | 417.00 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.00497 |
| Heavy Atoms | 26 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 109825-50-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | JTLAFXQYRJTRMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine (CAS 109825-50-5), with molecular formula C16H14Cl3N3O4 and molecular weight 417.00 g/mol. IUPAC: 2-tert-butyl-4,6-dinitro-N-(2,4,6-trichlorophenyl)aniline.
Chemical Property Profile of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine
Property Insights of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine
The XLogP value of 7.2 indicates that 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine 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-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine. Following Lipinski's Rule of Five, 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine?
The CAS number of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine is 109825-50-5.
What is the molecular formula of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine?
The molecular formula of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine is C16H14Cl3N3O4.
What is the molecular weight of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine?
The molecular weight of 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine is 417.00 g/mol.
Where can I buy 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine?
You can request a quote for 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4,6-dintro-2',4',6'-trichlorodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.