Phenol, 2,4,6-trinitro-, lithium salt (1:1)
TL;DR: Phenol, 2,4,6-trinitro-, lithium salt (1:1) (CAS 21319-23-3) is a chemical compound with molecular formula C6H2LiN3O7 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
lithium 2,4,6-trinitrophenolate
Also Known As: Lithium picrate, picric acid,lithium picrate, lithium 2,4,6-trinitrophenolate, lithium;2,4,6-trinitrophenolate, Phenol, 2,4,6-trinitro-, lithium salt
| Molecular Formula | C6H2LiN3O7 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | -2.5112 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.00528 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 21319-23-3 |
|---|---|
| SMILES | [Li+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XPSAAFFCAJIBSC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,4,6-trinitro-, lithium salt (1:1) (CAS 21319-23-3), with molecular formula C6H2LiN3O7 and molecular weight 235.01 g/mol. IUPAC: lithium 2,4,6-trinitrophenolate.
Chemical Property Profile of Phenol, 2,4,6-trinitro-, lithium salt (1:1)
Property Insights of Phenol, 2,4,6-trinitro-, lithium salt (1:1)
The XLogP value of -2.5112 indicates that Phenol, 2,4,6-trinitro-, lithium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Phenol, 2,4,6-trinitro-, lithium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 2,4,6-trinitro-, lithium salt (1:1) has 0 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 Phenol, 2,4,6-trinitro-, lithium salt (1:1)?
The CAS number of Phenol, 2,4,6-trinitro-, lithium salt (1:1) is 21319-23-3.
What is the molecular formula of Phenol, 2,4,6-trinitro-, lithium salt (1:1)?
The molecular formula of Phenol, 2,4,6-trinitro-, lithium salt (1:1) is C6H2LiN3O7.
What is the molecular weight of Phenol, 2,4,6-trinitro-, lithium salt (1:1)?
The molecular weight of Phenol, 2,4,6-trinitro-, lithium salt (1:1) is 235.01 g/mol.
Where can I buy Phenol, 2,4,6-trinitro-, lithium salt (1:1)?
You can request a quote for Phenol, 2,4,6-trinitro-, lithium 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, 2,4,6-trinitro-, lithium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,4,6-trinitro-, lithium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.