2-Methyl-5-nitrobenzenesulfonic acid
TL;DR: 2-Methyl-5-nitrobenzenesulfonic acid (CAS 121-03-9) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-nitrobenzenesulfonic acid
Also Known As: 2-METHYL-5-NITROBENZENESULFONIC ACID, Pntos, p-Nitrotoluene-o-sulfonic acid, 4-Nitrotoluene-2-sulfonic acid, 5-Nitro-o-toluenesulfonic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO5S |
| Molecular Weight | 217.00449 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.00449 Da |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
| Melting Point | 133.5 °C |
| Flash Point | Flash point > 133 °C |
| Solubility | VERY SOL IN WATER, ALCOHOL, ETHER, CHLOROFORM |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-nitrobenzenesulfonic acid
Property Insights of 2-Methyl-5-nitrobenzenesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrobenzenesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 5 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-Methyl-5-nitrobenzenesulfonic acid?
The CAS number of 2-Methyl-5-nitrobenzenesulfonic acid is 121-03-9.
What is the molecular formula of 2-Methyl-5-nitrobenzenesulfonic acid?
The molecular formula of 2-Methyl-5-nitrobenzenesulfonic acid is C7H7NO5S.
What is the molecular weight of 2-Methyl-5-nitrobenzenesulfonic acid?
The molecular weight of 2-Methyl-5-nitrobenzenesulfonic acid is 217.00449 g/mol.
Where can I buy 2-Methyl-5-nitrobenzenesulfonic acid?
You can request a quote for 2-Methyl-5-nitrobenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-nitrobenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.