Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)
TL;DR: Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) (CAS 59639-91-7) is a chemical compound with molecular formula C7H3ClKNO4 and molecular weight 238.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-chloro-4-nitrobenzoate
Also Known As: Potassium 2-chloro-4-nitrobenzoate, potassium,2-chloro-4-nitrobenzoate, Potassium-2-chloro-4-nitrobenzoate, Benzoic acid, 2-chloro-4-nitro-, potassium salt, Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)
| Molecular Formula | C7H3ClKNO4 |
|---|---|
| Molecular Weight | 238.94 g/mol |
| LogP | -2.38 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.93877 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 59639-91-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)[O-].[K+] |
| InChIKey | RFOMKRIDPCCWRA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) (CAS 59639-91-7), with molecular formula C7H3ClKNO4 and molecular weight 238.94 g/mol. IUPAC: potassium 2-chloro-4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)
Property Insights of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)
The XLogP value of -2.38 indicates that Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1). Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) has 0 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 Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)?
The CAS number of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) is 59639-91-7.
What is the molecular formula of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)?
The molecular formula of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) is C7H3ClKNO4.
What is the molecular weight of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)?
The molecular weight of Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) is 238.94 g/mol.
Where can I buy Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)?
You can request a quote for Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-4-nitro-, potassium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.