3-Nitrosalicylic acid
TL;DR: 3-Nitrosalicylic acid (CAS 85-38-1) is a chemical compound with molecular formula C7H5NO5 and molecular weight 183.01677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-3-nitrobenzoic acid
Also Known As: 3-Nitrosalicylic acid, 2-Hydroxy-3-nitrobenzoic acid, Salicylic acid, 3-nitro-, 3-Nitrosalicylicacid, 2-hydroxy-3-nitro-benzoic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO5 |
| Molecular Weight | 183.01677 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01677 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O |
| InChIKey | WWWFHFGUOIQNJC-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrosalicylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
3-Nitrosalicylic acid is a heterocyclic building block identified by CAS number 85-38-1 and the molecular formula C7H5NO5 and a molecular weight of 183.02 g/mol. Synonyms include 3-Nitrosalicylic acid and 2-Hydroxy-3-nitrobenzoic acid.
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 3-Nitrosalicylic acid
Property Insights of 3-Nitrosalicylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrosalicylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrosalicylic acid. Following Lipinski's Rule of Five, 3-Nitrosalicylic acid has 2 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 3-Nitrosalicylic acid?
The CAS number of 3-Nitrosalicylic acid is 85-38-1.
What is the molecular formula of 3-Nitrosalicylic acid?
The molecular formula of 3-Nitrosalicylic acid is C7H5NO5.
What is the molecular weight of 3-Nitrosalicylic acid?
The molecular weight of 3-Nitrosalicylic acid is 183.01677 g/mol.
What are the applications of 3-Nitrosalicylic acid?
3-Nitrosalicylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Nitrosalicylic acid?
You can request a quote for 3-Nitrosalicylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrosalicylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitrosalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.