氟虫腈
TL;DR: 氟虫腈 (CAS 120068-37-3) is a chemical compound with molecular formula C12H4Cl2F6N4OS and molecular weight 435.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟虫腈
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Also Known As: fipronil, Termidor, Regent, TopChoice, Fipronil [ISO]
| Molecular Formula | C12H4Cl2F6N4OS |
|---|---|
| Molecular Weight | 435.94 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.93872 |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
| Melting Point | 200-201 °C |
| Density | 1.477-1.626 at 20 °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 |
| Vapor Pressure | 2.78X10-9 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 120068-37-3 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟虫腈 (CAS 120068-37-3), with molecular formula C12H4Cl2F6N4OS and molecular weight 435.94 g/mol. IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile.
Chemical Property Profile of 氟虫腈
Property Insights of 氟虫腈
The XLogP value of 4.5 indicates that 氟虫腈 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 氟虫腈. Following Lipinski's Rule of Five, 氟虫腈 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氟虫腈?
The CAS number of 氟虫腈 is 120068-37-3.
What is the molecular formula of 氟虫腈?
The molecular formula of 氟虫腈 is C12H4Cl2F6N4OS.
What is the molecular weight of 氟虫腈?
The molecular weight of 氟虫腈 is 435.94 g/mol.
Where can I buy 氟虫腈?
You can request a quote for 氟虫腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟虫腈?
Yes, KEHONG BIO provides custom synthesis services for 氟虫腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.