Styphnic acid
TL;DR: Styphnic acid (CAS 82-71-3) is a chemical compound with molecular formula C6H3N3O8 and molecular weight 244.99202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trinitrobenzene-1,3-diol
Also Known As: Styphnic acid, Trinitroresorcinol, 2,4,6-TRINITRORESORCINOL, Styphninsaure, 2,4,6-trinitrobenzene-1,3-diol
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3N3O8 |
| Molecular Weight | 244.99202 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.99202 Da |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | IXHMHWIBCIYOAZ-UHFFFAOYSA-N |
Product Description
Applications: Styphnic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as analytical chemistry as a reagent, standard, or reference material. 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).
Styphnic acid is a organic building block identified by CAS number 82-71-3 and the molecular formula C6H3N3O8 and a molecular weight of 244.99 g/mol. Synonyms include Styphnic acid and Trinitroresorcinol.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Styphnic acid
Property Insights of Styphnic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Styphnic acid. The TPSA of 178.0 Ų indicates high polarity, suggesting Styphnic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Styphnic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Styphnic acid?
The CAS number of Styphnic acid is 82-71-3.
What is the molecular formula of Styphnic acid?
The molecular formula of Styphnic acid is C6H3N3O8.
What is the molecular weight of Styphnic acid?
The molecular weight of Styphnic acid is 244.99202 g/mol.
What are the applications of Styphnic acid?
Styphnic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as analytical chemistry as a reagent, standard, or reference material. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Styphnic acid?
You can request a quote for Styphnic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Styphnic acid?
Yes, CoreyChem provides custom synthesis services for Styphnic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.