4-Nitro-3-(trifluoromethyl)aniline
TL;DR: 4-Nitro-3-(trifluoromethyl)aniline (CAS 393-11-3) is a chemical compound with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(trifluoromethyl)aniline
Also Known As: 4-Nitro-3-(trifluoromethyl)aniline, 5-Amino-2-nitrobenzotrifluoride, 4-Nitro-3-trifluoromethylaniline, 4-Nitro-3-trifluoromethyl aniline, 3-trifluoromethyl-4-nitroaniline
| Molecular Formula | C7H5F3N2O2 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03032 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 393-11-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | UTKUVRNVYFTEHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-3-(trifluoromethyl)aniline (CAS 393-11-3), with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol. IUPAC: 4-nitro-3-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Nitro-3-(trifluoromethyl)aniline
Property Insights of 4-Nitro-3-(trifluoromethyl)aniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-(trifluoromethyl)aniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 4-Nitro-3-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitro-3-(trifluoromethyl)aniline?
The CAS number of 4-Nitro-3-(trifluoromethyl)aniline is 393-11-3.
What is the molecular formula of 4-Nitro-3-(trifluoromethyl)aniline?
The molecular formula of 4-Nitro-3-(trifluoromethyl)aniline is C7H5F3N2O2.
What is the molecular weight of 4-Nitro-3-(trifluoromethyl)aniline?
The molecular weight of 4-Nitro-3-(trifluoromethyl)aniline is 206.03 g/mol.
Where can I buy 4-Nitro-3-(trifluoromethyl)aniline?
You can request a quote for 4-Nitro-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.