2,6-Dinitro-4-(trifluoromethyl)aniline
TL;DR: 2,6-Dinitro-4-(trifluoromethyl)aniline (CAS 445-66-9) is a chemical compound with molecular formula C7H4F3N3O4 and molecular weight 251.0154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: 2,6-Dinitro-4-(trifluoromethyl)aniline, 4-Amino-3,5-dinitrobenzotrifluoride, dinitrotrifluoromethylaniline, 2,6-dinitro-4-trifluoromethylaniline, 2,6-Dinitro-4-(trifluoromethyl)benzenamine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4F3N3O4 |
| Molecular Weight | 251.0154 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.0154 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F |
| InChIKey | VACNDKUQVLNNLD-UHFFFAOYSA-N |
Product Description
Applications: 2,6-Dinitro-4-(trifluoromethyl)aniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,6-Dinitro-4-(trifluoromethyl)aniline (CAS 445-66-9) is a heterocyclic building block with the molecular formula C7H4F3N3O4 and a molecular weight of 251.02 g/mol. Synonyms include 2,6-Dinitro-4-(trifluoromethyl)aniline and 4-Amino-3,5-dinitrobenzotrifluoride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,6-Dinitro-4-(trifluoromethyl)aniline
Property Insights of 2,6-Dinitro-4-(trifluoromethyl)aniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitro-4-(trifluoromethyl)aniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,6-Dinitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dinitro-4-(trifluoromethyl)aniline?
The CAS number of 2,6-Dinitro-4-(trifluoromethyl)aniline is 445-66-9.
What is the molecular formula of 2,6-Dinitro-4-(trifluoromethyl)aniline?
The molecular formula of 2,6-Dinitro-4-(trifluoromethyl)aniline is C7H4F3N3O4.
What is the molecular weight of 2,6-Dinitro-4-(trifluoromethyl)aniline?
The molecular weight of 2,6-Dinitro-4-(trifluoromethyl)aniline is 251.0154 g/mol.
What are the applications of 2,6-Dinitro-4-(trifluoromethyl)aniline?
2,6-Dinitro-4-(trifluoromethyl)aniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 2,6-Dinitro-4-(trifluoromethyl)aniline?
You can request a quote for 2,6-Dinitro-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dinitro-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2,6-Dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.