2,6-Dinitro-4-(trifluoromethyl)phenol
TL;DR: 2,6-Dinitro-4-(trifluoromethyl)phenol (CAS 5156-13-8) is a chemical compound with molecular formula C7H3F3N2O5 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-(trifluoromethyl)phenol
Also Known As: 2,6-Dinitro-4-(trifluoromethyl)phenol, Trifluralin metabolite, 2,6-Dinitro-4-trifluoromethylphenol, 4-Hydroxy-3,5-dinitrobenzotrifluoride, Phenol, 2,6-dinitro-4-(trifluoromethyl)-
| Molecular Formula | C7H3F3N2O5 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.9994 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 5156-13-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F |
| InChIKey | FXZGYEWQIGIFMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dinitro-4-(trifluoromethyl)phenol (CAS 5156-13-8), with molecular formula C7H3F3N2O5 and molecular weight 252.00 g/mol. IUPAC: 2,6-dinitro-4-(trifluoromethyl)phenol.
Chemical Property Profile of 2,6-Dinitro-4-(trifluoromethyl)phenol
Property Insights of 2,6-Dinitro-4-(trifluoromethyl)phenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitro-4-(trifluoromethyl)phenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitro-4-(trifluoromethyl)phenol. Following Lipinski's Rule of Five, 2,6-Dinitro-4-(trifluoromethyl)phenol 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
Frequently Asked Questions
What is the CAS number of 2,6-Dinitro-4-(trifluoromethyl)phenol?
The CAS number of 2,6-Dinitro-4-(trifluoromethyl)phenol is 5156-13-8.
What is the molecular formula of 2,6-Dinitro-4-(trifluoromethyl)phenol?
The molecular formula of 2,6-Dinitro-4-(trifluoromethyl)phenol is C7H3F3N2O5.
What is the molecular weight of 2,6-Dinitro-4-(trifluoromethyl)phenol?
The molecular weight of 2,6-Dinitro-4-(trifluoromethyl)phenol is 252.00 g/mol.
Where can I buy 2,6-Dinitro-4-(trifluoromethyl)phenol?
You can request a quote for 2,6-Dinitro-4-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitro-4-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.