2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid
TL;DR: 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid (CAS 6333-41-1) is a chemical compound with molecular formula C7H3F3N2O7S and molecular weight 315.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-(trifluoromethyl)benzenesulfonic acid
Also Known As: Tfmdnps, 2,6-Dinitro-tfmbsa, 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid, 2,6-Dinitro-4-trifluoromethylbenzenesulfonate, 2,6-dinitro-4-(trifluoromethyl)benzenesulfonic acid
| Molecular Formula | C7H3F3N2O7S |
|---|---|
| Molecular Weight | 315.96 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.9613 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 6333-41-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])C(F)(F)F |
| InChIKey | IVFGXTYRSDHGSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid (CAS 6333-41-1), with molecular formula C7H3F3N2O7S and molecular weight 315.96 g/mol. IUPAC: 2,6-dinitro-4-(trifluoromethyl)benzenesulfonic acid.
Chemical Property Profile of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid
Property Insights of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid. The TPSA of 154.0 Ų indicates high polarity, suggesting 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 10 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-trifluoromethylbenzenesulfonic acid?
The CAS number of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid is 6333-41-1.
What is the molecular formula of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid?
The molecular formula of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid is C7H3F3N2O7S.
What is the molecular weight of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid?
The molecular weight of 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid is 315.96 g/mol.
Where can I buy 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid?
You can request a quote for 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid 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-trifluoromethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-trifluoromethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.