4-Nitro-3-trifluoromethylphenol
TL;DR: 4-Nitro-3-trifluoromethylphenol (CAS 88-30-2) is a chemical compound with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(trifluoromethyl)phenol
Also Known As: 4-Nitro-3-(trifluoromethyl)phenol, Lamprecide, Lamprecid, Dowlap F, 5-Hydroxy-2-nitrobenzotrifluoride
| Molecular Formula | C7H4F3NO3 |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.01433 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| Melting Point | 76 °C |
| Solubility | In water, 5000 mg/L at 25 °C |
| Vapor Pressure | 0.00133 [mmHg] |
Chemical Identifiers
| CAS Number | 88-30-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | ZEFMBAFMCSYJOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-3-trifluoromethylphenol (CAS 88-30-2), with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol. IUPAC: 4-nitro-3-(trifluoromethyl)phenol.
Chemical Property Profile of 4-Nitro-3-trifluoromethylphenol
Property Insights of 4-Nitro-3-trifluoromethylphenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-trifluoromethylphenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-trifluoromethylphenol. Following Lipinski's Rule of Five, 4-Nitro-3-trifluoromethylphenol 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-trifluoromethylphenol?
The CAS number of 4-Nitro-3-trifluoromethylphenol is 88-30-2.
What is the molecular formula of 4-Nitro-3-trifluoromethylphenol?
The molecular formula of 4-Nitro-3-trifluoromethylphenol is C7H4F3NO3.
What is the molecular weight of 4-Nitro-3-trifluoromethylphenol?
The molecular weight of 4-Nitro-3-trifluoromethylphenol is 207.01 g/mol.
Where can I buy 4-Nitro-3-trifluoromethylphenol?
You can request a quote for 4-Nitro-3-trifluoromethylphenol 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-trifluoromethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-trifluoromethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.