2-Nitrobenzoic acid
TL;DR: 2-Nitrobenzoic acid (CAS 552-16-9) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzoic acid
Also Known As: 2-NITROBENZOIC ACID, o-Nitrobenzoic acid, 2-nitrobenzoicacid, Benzoic acid, 2-nitro-, o-Carboxynitrobenzene
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| Melting Point | 297 to 147.8 °C |
| Density | 1.575 at 20.0 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.0000714 [mmHg] |
Chemical Identifiers
| CAS Number | 552-16-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | SLAMLWHELXOEJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrobenzoic acid (CAS 552-16-9), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 2-nitrobenzoic acid.
Chemical Property Profile of 2-Nitrobenzoic acid
Property Insights of 2-Nitrobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzoic acid. Following Lipinski's Rule of Five, 2-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
Frequently Asked Questions
What is the CAS number of 2-Nitrobenzoic acid?
The CAS number of 2-Nitrobenzoic acid is 552-16-9.
What is the molecular formula of 2-Nitrobenzoic acid?
The molecular formula of 2-Nitrobenzoic acid is C7H5NO4.
What is the molecular weight of 2-Nitrobenzoic acid?
The molecular weight of 2-Nitrobenzoic acid is 167.02 g/mol.
Where can I buy 2-Nitrobenzoic acid?
You can request a quote for 2-Nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.