4-Nitrobenzoic Acid
TL;DR: 4-Nitrobenzoic Acid (CAS 62-23-7) 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.
4-nitrobenzoic acid
Also Known As: 4-NITROBENZOIC ACID, p-Nitrobenzoic acid, Nitrodracylic acid, Benzoic acid, 4-nitro-, 4-Nitrodracylic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO4 |
| Molecular Weight | 167.02185 g/mol |
| XLogP | 1.9 |
| 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 | 190.0 |
| Melting Point | 468 °F (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 1.55 at 90 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 396 °F (NTP, 1992) |
| Vapor Pressure | 0.00000253 [mmHg] |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
| InChIKey | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
Product Description
Applications: 4-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. CoreyChem supplies 4-Nitrobenzoic Acid (CAS 62-23-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4-Nitrobenzoic Acid (CAS 62-23-7) has the molecular formula C7H5NO4 and a molecular weight of 167.02 g/mol. Reported properties include a density of 1.55 at 90 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 79 °F (NTP, 1992). It is also known as 4-NITROBENZOIC ACID and p-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 4-Nitrobenzoic Acid
Property Insights of 4-Nitrobenzoic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzoic Acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzoic Acid. Following Lipinski's Rule of Five, 4-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 4-Nitrobenzoic Acid?
The CAS number of 4-Nitrobenzoic Acid is 62-23-7.
What is the molecular formula of 4-Nitrobenzoic Acid?
The molecular formula of 4-Nitrobenzoic Acid is C7H5NO4.
What is the molecular weight of 4-Nitrobenzoic Acid?
The molecular weight of 4-Nitrobenzoic Acid is 167.02185 g/mol.
What are the applications of 4-Nitrobenzoic Acid?
4-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. CoreyChem supplies 4-Nitrobenzoic Acid (CAS 62-23-7)...
Where can I buy 4-Nitrobenzoic Acid?
You can request a quote for 4-Nitrobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Nitrobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.