4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine
TL;DR: 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine (CAS 109825-81-2) is a chemical compound with molecular formula C16H14Cl3N3O4 and molecular weight 417.00497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-2,6-dinitro-N-(2,4,6-trichlorophenyl)aniline
Also Known As: 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine, 2,6-dinitro-4-tert-butyl-N-(2,4,6-trichlorophenyl)aniline, 4-tert-butyl-2,6-dinitro-N-(2,4,6-trichlorophenyl)aniline, Benzenamine, 4-(1,1-dimethylethyl)-2,6-dinitro-N-(2,4,6-trichlorophenyl)-, N-(4-tert-Butyl-2,6-dinitrophenyl)-2,4,6-trichloroaniline
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14Cl3N3O4 |
| Molecular Weight | 417.00497 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.00497 Da |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | AMYVHWOHYKSDKG-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine
Property Insights of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine
The XLogP value of 7.2 indicates that 4-tert-Butyl-2,6-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 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine. Following Lipinski's Rule of Five, 4-tert-Butyl-2,6-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
What is the CAS number of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine?
The CAS number of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine is 109825-81-2.
What is the molecular formula of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine?
The molecular formula of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine is C16H14Cl3N3O4.
What is the molecular weight of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine?
The molecular weight of 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine is 417.00497 g/mol.
Where can I buy 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine?
You can request a quote for 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.