5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
Grundinformationen
- CAS
205650-65-3- Standard-SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(F)(F)F- InChIKey
JWKXVHLIRTVXLD-UHFFFAOYSA-N- Summenformel
- C12H4Cl2F6N4
- Durchschnittliche Molmasse
- 389,08 g/mol
- Monoisotopische Masse
- 387,9717205
Überblick
Fipronil-desulfinyl is 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, and amino groups, respectively. It has a role as a marine xenobiotic metabolite. It is a nitrile, a dichlorobenzene, a member of pyrazoles and a member of (trifluoromethyl)benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
- IUPAC
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile
- Englischer Name
- FIPRONIL-DESULFINYL
- Summenformel
- C12H4Cl2F6N4
- Molmasse
- 389.08
Namen und Synonyme
Fipronil DesulfinylFIPRONIL-DESULFINYLDesulfinylfipronil5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrileFipronil metabolite 46513UNII-A9Y6W9QM9DA9Y6W9QM9DJ783.262AMB-465135-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-
Weitere Namen anzeigen
MB 46513Fipronil desulfinyl SolutionHPLC≥94%FluoromethanenitrileFipronil desulfinyl (Standard)Fipronil-desulfinyl in AcetonitrileFipronil Desulfinyl Solution, 1000ppmFipronil Desulfinyl @100 μg/mL in AcetoneFipronil-desulfinyl 10.0 μg/ml AcetonitrileL13645300ALFipronil-desulfinyL10μg/mLin Ace
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 67,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 506
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides -> Insecticides -> Pyrazole insecticides -> Phenylpyrazole insecticides -> Transformation products
Pesticide degradation product
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 · 189-190°C
- Siedepunkt
- 440.6 · 440.6±45.0 °C(Predicted)
- Dichte
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -4.15 · -4.15±0.20(Predicted)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2
- InChIKey
- JWKXVHLIRTVXLD-UHFFFAOYSA-N
- SMILES
- N1(C2=C(Cl)C=C(C(F)(F)F)C=C2Cl)C(N)=C(C(F)(F)F)C(C#N)=N1
- EPA chemische Informationen
- 1 H-Pyrazole-3-carbonitrile, · 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)- (205650-65-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationCommission Regulation (EC) No 451/2000
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Desulfinylfipronil
66607
Pesticide degradation product
1
Photodegradate (MB 46513) of fipronil CASRN 120068373
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGII
- risk_code
- 28
- hazard_code
- T+
- safety_code
- 28-36/37-45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationPesticides -> Insecticides -> Pyrazole insecticides -> Phenylpyrazole insecticides -> Transformation products
Anwendungen
VerwendenFipronil Desulfinyl is a photodegradation product of Fipronil (F342200).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter41 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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