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Fipronil
CAS: 120068-37-3 | C12H4Cl2F6N4OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120068-37-3
Molecular Formula:
C12H4Cl2F6N4OS
Molecular Mass:
437.15 g/mol
Names and Synonyms:
Fipronil
1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
Fipronil
Regent
Termidor 80WG
Termidor
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole
Frontline Top Spot
Ascend
Blitz
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole
Frontline Spray
Frontline Spot-on
Fluocyanobenpyrazole
Maxforce FC
Cosmos
Cosmos (insecticide)
Goliath gel
Agenda
TopChoice
Grenade MC
Granedo MC
Maxforce FC Select Roach Killer Bait Gel
Regent TS
1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylsulfinyl)pyrazole
(±)-Fipronil
Over'n Out
Agenda SC
Regent 250 FS
Formidor L
Chipco Choice
Regent 200 SC
Taj
Eliminall
Standak 250SC
Standak
Regent 0.3G
Prince
Jump 80WG
Regent 800WG
Termidor (insecticide)
Albatross (insecticide)
Topline
DEVIGENT PLUS
Bakuda
Prince Flowable
Reagent 800 WG
Identifiers:
SMILES:
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F
InChI:
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
Key Properties
Melting Point
200-201 °C
CAS Common Chemistry
Density
1.477-1.626 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 437.15 g/mol | CAS Common Chemistry |
| 437.15200000000004 g/mol | RDKit | |
| 435.938706428 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fipronil | CAS Common Chemistry |
| Canonical SMILES | N#CC1=NN(C(N)=C1S(=O)C(F)(F)F)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F | CAS Common Chemistry |
| Density | 1.477-1.626 g/cm3 @ Temp: 20 °C | CAS Common Chemistry |
| InChI | InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOCSXAVNDGMNBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-201 °C | CAS Common Chemistry |
| Name | Fipronil | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 84.69999999999999 Ų | RDKit |
| LogP | 4.279179999999999 | RDKit |
| Molar Refractivity | 80.1768 | RDKit |
