![3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline structure](/static/products/863/86336-36-9.png)
3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline
TL;DR: 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline (CAS 86336-36-9) is a chemical compound with molecular formula C13H9F3N2O3 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-nitro-4-(trifluoromethyl)phenoxy]aniline
Also Known As: NCIOpen2_002594, 3-[2-nitro-4-(trifluoromethyl)phenoxy]aniline, 3-Amino-2'-nitro-4'-trifluormethyl-diphenylether, Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]-
| Molecular Formula | C13H9F3N2O3 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.05652 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 86336-36-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N |
| InChIKey | GAZRUDPNQMDFNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline (CAS 86336-36-9), with molecular formula C13H9F3N2O3 and molecular weight 298.06 g/mol. IUPAC: 3-[2-nitro-4-(trifluoromethyl)phenoxy]aniline.
Chemical Property Profile of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline
Property Insights of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline
The XLogP value of 3.1 indicates that 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline. Following Lipinski's Rule of Five, 3-[2-Nitro-4-(trifluoromethyl)phenoxy]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
Frequently Asked Questions
What is the CAS number of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline?
The CAS number of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline is 86336-36-9.
What is the molecular formula of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline?
The molecular formula of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline is C13H9F3N2O3.
What is the molecular weight of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline?
The molecular weight of 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline is 298.06 g/mol.
Where can I buy 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline?
You can request a quote for 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Nitro-4-(trifluoromethyl)phenoxy]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.