2,4-Dinitrobenzenesulfonic acid
TL;DR: 2,4-Dinitrobenzenesulfonic acid (CAS 89-02-1) is a chemical compound with molecular formula C6H4N2O7S and molecular weight 247.97392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitrobenzenesulfonic acid
Also Known As: 2,4-Dinitrobenzenesulfonic acid, DNBS, DNBA, DNBSA, Dinitrobenzenesulfonic acid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2O7S |
| Molecular Weight | 247.97392 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.97392 Da |
| Heavy Atoms | 16 |
| Complexity | 389.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | OVOJUAKDTOOXRF-UHFFFAOYSA-N |
Product Description
Applications: 2,4-Dinitrobenzenesulfonic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 2,4-Dinitrobenzenesulfonic acid (CAS 89-02-1) has the molecular formula C6H4N2O7S and a molecular weight of 247.97 g/mol. Synonyms include 2,4-Dinitrobenzenesulfonic acid and DNBS.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4-Dinitrobenzenesulfonic acid
Property Insights of 2,4-Dinitrobenzenesulfonic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrobenzenesulfonic acid. The TPSA of 154.0 Ų indicates high polarity, suggesting 2,4-Dinitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dinitrobenzenesulfonic acid?
The CAS number of 2,4-Dinitrobenzenesulfonic acid is 89-02-1.
What is the molecular formula of 2,4-Dinitrobenzenesulfonic acid?
The molecular formula of 2,4-Dinitrobenzenesulfonic acid is C6H4N2O7S.
What is the molecular weight of 2,4-Dinitrobenzenesulfonic acid?
The molecular weight of 2,4-Dinitrobenzenesulfonic acid is 247.97392 g/mol.
What are the applications of 2,4-Dinitrobenzenesulfonic acid?
2,4-Dinitrobenzenesulfonic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 2,4-Dinitrobenzenesulfonic acid?
You can request a quote for 2,4-Dinitrobenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dinitrobenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2,4-Dinitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.