Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)
TL;DR: Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) (CAS 654-66-0) is a chemical compound with molecular formula C7H3F3NNaO3 and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-nitro-3-(trifluoromethyl)phenolate
Also Known As: Lamprecide, Lamprecid, 3-Trifluoromethyl-4-nitrophenol sodium salt, sodium;4-nitro-3-(trifluoromethyl)phenolate, 2-OCT-1-YNYL-BENZALDEHYDE
| Molecular Formula | C7H3F3NNaO3 |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | -1.31 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.99628 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 654-66-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[O-])C(F)(F)F)[N+](=O)[O-].[Na+] |
| InChIKey | GZMCWLUYRYIQGJ-UHFFFAOYSA-M |
Product Overview
Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) (CAS 654-66-0), with molecular formula C7H3F3NNaO3 and molecular weight 229.00 g/mol. IUPAC: sodium 4-nitro-3-(trifluoromethyl)phenolate.
Chemical Property Profile of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)
Property Insights of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)
The XLogP value of -1.31 indicates that Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1). Following Lipinski's Rule of Five, Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) has 0 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 Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)?
The CAS number of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) is 654-66-0.
What is the molecular formula of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)?
The molecular formula of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) is C7H3F3NNaO3.
What is the molecular weight of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)?
The molecular weight of Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) is 229.00 g/mol.
Where can I buy Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)?
You can request a quote for Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.