Fipronil sulfide

HCID 9953940CAS 120067-83-6

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Grundinformationen

Standard-SMILES: N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SC(F)(F)F
InChIKey: FQXWEKADCSXYOC-UHFFFAOYSA-N
Summenformel: C12H4Cl2F6N4S
Durchschnittliche Molmasse: 421,1 g/mol
Monoisotopische Masse: 419,9437917

Namen und Bezeichner

Bevorzugter Name: Fipronil sulfide
IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
Englischer Name: FIPRONIL-SULFIDE
Summenformel: C12H4Cl2F6N4S
Molmasse: 421.15

Namen und Synonyme

Fipronil SulfideDTXSID50869644RefChem:599215DTXCID40817598fipronil-sulfide120067-83-65-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)thio)-5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)thio)pyrazole-3-carbonitrile5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfanyl]-1H-pyrazole-3-carbonitrile5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)thio)-1H-pyrazole-3-carbonitrileC12H4Cl2F6N4S

Weitere Namen anzeigen

Fipronil-suldeFipronil Sulfide @100 μg/mL in AcetoneMBO 45950Fipronil EP Impurity AC13645400 Fipronil-sulfideTrifluoromethylthio-pyrazoleFipronil-sulfide in AcetonitrileFipronil sulfide Solution, 1000ppmFipronil-sulfide 1000 μg/mL in Acetone

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]pyrazole-3-carbonitrileMB 45950SCHEMBL15406CHEBI:83488MSK20306MFCD08273815AKOS015908768Fipronil EP Impurity A;<br>Fipronil Sulfide

Datenbank-Bezeichner

CAS: 120067-83-6
PubChem CID: 9953940
DTXSID: DTXSID50869644
ChEBI: CHEBI:83488
Nikkaji: J514.721B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 92,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 2
Schwere Atome: 25
Formalladung: 0
Komplexität: 526

Physikochemische Eigenschaften

Schmelzpunkt: 161 · 161-163 °C(Solv: toluene (108-88-3))
Siedepunkt: 393.2 · 393.2±42.0 °C(Predicted)
Dichte: 1.76 · 1.76±0.1 g/cm3(Predicted)
pka: -4.16 · -4.16±0.20(Predicted)
InChI: InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
InChIKey: FQXWEKADCSXYOC-UHFFFAOYSA-N
SMILES: N1(C2=C(Cl)C=C(C(F)(F)F)C=C2Cl)C(N)=C(SC(F)(F)F)C(C#N)=N1
EPA chemische Informationen: 5 · 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]pyrazole-3-carbonitrile (120067-83-6)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory InformationCommission Regulation (EC) No 451/2000

Toxikologische Informationen

USGS Health-Based Screening Levels for Evaluating Water-Quality · 4 Einträge

Fipronil sulfide

66610

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Regulatorische Informationen

Regulatory InformationCommission Regulation (EC) No 451/2000

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2STOT RE 1 Oral

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 3 Einträge

Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Insecticides -> Pyrazole insecticides -> Phenylpyrazole insecticides -> Transformation products

Anwendungen

VerwendenFipronil Sulfide is a degradation product of the insecticide Fipronil (F342200).

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南京凯美西化工有限公司02558748998 18951874644 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

江苏智芯廷科技有限公司18221391031 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil.