3-Nitrobenzoic acid
TL;DR: 3-Nitrobenzoic acid (CAS 121-92-6) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrobenzoic acid
Also Known As: 3-NITROBENZOIC ACID, m-Nitrobenzoic acid, Benzoic acid, 3-nitro-, Benzoic acid, m-nitro-, Metanitrobenzoic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO4 |
| Molecular Weight | 167.02185 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02185 Da |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| Melting Point | 284 to 288 °F (NTP, 1992) |
| Density | 1.494 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.0000371 [mmHg] |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrobenzoic 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-Nitrobenzoic acid is a heterocyclic building block identified by CAS number 121-92-6 and the molecular formula C7H5NO4 and a molecular weight of 167.02 g/mol. Physically, the compound has a density of 1.494 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). Synonyms include 3-NITROBENZOIC ACID and m-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-Nitrobenzoic acid
Property Insights of 3-Nitrobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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-Nitrobenzoic acid?
The CAS number of 3-Nitrobenzoic acid is 121-92-6.
What is the molecular formula of 3-Nitrobenzoic acid?
The molecular formula of 3-Nitrobenzoic acid is C7H5NO4.
What is the molecular weight of 3-Nitrobenzoic acid?
The molecular weight of 3-Nitrobenzoic acid is 167.02185 g/mol.
What are the applications of 3-Nitrobenzoic acid?
3-Nitrobenzoic 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-Nitrobenzoic acid?
You can request a quote for 3-Nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.