1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) (CAS 57637-04-4) is a chemical compound with molecular formula C8H4ClNaO4 and molecular weight 221.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-carboxy-5-chlorobenzoate
Also Known As: Sodium 4-chlorophthalate, Monosodium 4-chlorophthalate, Sodium-4-chlorophthalate, 4-Chlorophthalic acid monosodium salt, sodium 2-carboxy-4-chlorobenzoate
| Molecular Formula | C8H4ClNaO4 |
|---|---|
| Molecular Weight | 221.97 g/mol |
| LogP | -2.5943 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.96957 |
| Heavy Atoms | 14 |
| Complexity | 377.60406 |
Chemical Identifiers
| CAS Number | 57637-04-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)[O-])C(=O)O.[Na+] |
Product Overview
1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) (CAS 57637-04-4), with molecular formula C8H4ClNaO4 and molecular weight 221.97 g/mol. IUPAC: sodium 2-carboxy-5-chlorobenzoate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)
The XLogP value of -2.5943 indicates that 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) has 1 hydrogen bond donor(s) and 3 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 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) is 57637-04-4.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) is C8H4ClNaO4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) is 221.97 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium 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 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.