Chloroisocyanuric acid
TL;DR: Chloroisocyanuric acid (CAS 13057-78-8) is a chemical compound with molecular formula C3H2ClN3O3 and molecular weight 162.97847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-1,3,5-triazinane-2,4,6-trione
Also Known As: Chloroisocyanuric acid, 1-chloro-1,3,5-triazinane-2,4,6-trione, Monochloro-s-triazinetrione acid, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-chloro-, J1.426.594E
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H2ClN3O3 |
| Molecular Weight | 162.97847 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.97847 Da |
| Heavy Atoms | 10 |
| Complexity | 195.0 |
| SMILES | C1(=O)NC(=O)N(C(=O)N1)Cl |
| InChIKey | ISAOUZVKYLHALD-UHFFFAOYSA-N |
Chemical Property Profile of Chloroisocyanuric acid
Property Insights of Chloroisocyanuric acid
The XLogP value of -0.4 indicates that Chloroisocyanuric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroisocyanuric acid. Following Lipinski's Rule of Five, Chloroisocyanuric acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chloroisocyanuric acid?
The CAS number of Chloroisocyanuric acid is 13057-78-8.
What is the molecular formula of Chloroisocyanuric acid?
The molecular formula of Chloroisocyanuric acid is C3H2ClN3O3.
What is the molecular weight of Chloroisocyanuric acid?
The molecular weight of Chloroisocyanuric acid is 162.97847 g/mol.
Where can I buy Chloroisocyanuric acid?
You can request a quote for Chloroisocyanuric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroisocyanuric acid?
Yes, CoreyChem provides custom synthesis services for Chloroisocyanuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.