3-Nitro-4-(trifluoromethoxy)aniline
TL;DR: 3-Nitro-4-(trifluoromethoxy)aniline (CAS 142738-94-1) is a chemical compound with molecular formula C7H5F3N2O3 and molecular weight 222.02522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-4-(trifluoromethoxy)aniline
Also Known As: 3-Nitro-4-(trifluoromethoxy)aniline, FLECAINIDEACETATE, 3-(Trifluoromethoxy)anisole, 3-NITRO-4- ANILINE, 4-(Trifluoromethoxy)-3-nitroaniline
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3N2O3 |
| Molecular Weight | 222.02522 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02522 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])OC(F)(F)F |
| InChIKey | QXIKEFNBFUHDHK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-4-(trifluoromethoxy)aniline
Property Insights of 3-Nitro-4-(trifluoromethoxy)aniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(trifluoromethoxy)aniline. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(trifluoromethoxy)aniline. Following Lipinski's Rule of Five, 3-Nitro-4-(trifluoromethoxy)aniline has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-4-(trifluoromethoxy)aniline?
The CAS number of 3-Nitro-4-(trifluoromethoxy)aniline is 142738-94-1.
What is the molecular formula of 3-Nitro-4-(trifluoromethoxy)aniline?
The molecular formula of 3-Nitro-4-(trifluoromethoxy)aniline is C7H5F3N2O3.
What is the molecular weight of 3-Nitro-4-(trifluoromethoxy)aniline?
The molecular weight of 3-Nitro-4-(trifluoromethoxy)aniline is 222.02522 g/mol.
Where can I buy 3-Nitro-4-(trifluoromethoxy)aniline?
You can request a quote for 3-Nitro-4-(trifluoromethoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-4-(trifluoromethoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-4-(trifluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.