Fipronil
TL;DR: Fipronil (CAS 120068-37-3) is a chemical compound with molecular formula C12H4Cl2F6N4OS and molecular weight 435.93872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Also Known As: fipronil, Termidor, Regent, TopChoice, Fipronil [ISO]
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H4Cl2F6N4OS |
| Molecular Weight | 435.93872 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.93872 Da |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
| Melting Point | 200-201 °C |
| Density | 1.477-1.626 at 20 °C |
| Vapor Pressure | 2.78X10-9 mm Hg at 25 °C |
| Solubility | In water, 1.9 mg/L (pH 5), 2.4 mg/L (pH 9), 1.9 mg/L (distilled), all at 20 °C |
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F |
| InChIKey | ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
Chemical Property Profile of Fipronil
Property Insights of Fipronil
The XLogP value of 4.5 indicates that Fipronil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fipronil. Following Lipinski's Rule of Five, Fipronil has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Fipronil?
The CAS number of Fipronil is 120068-37-3.
What is the molecular formula of Fipronil?
The molecular formula of Fipronil is C12H4Cl2F6N4OS.
What is the molecular weight of Fipronil?
The molecular weight of Fipronil is 435.93872 g/mol.
Where can I buy Fipronil?
You can request a quote for Fipronil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Fipronil?
Yes, CoreyChem provides custom synthesis services for Fipronil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.