Fipronil sulfide

HCID 9953940CAS 120067-83-6

기본 정보

표준 SMILES: N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SC(F)(F)F
InChIKey: FQXWEKADCSXYOC-UHFFFAOYSA-N
분자식: C12H4Cl2F6N4S
평균 분자량: 421.1 g/mol
단동위원소 질량: 419.9437917

이름 및 식별자

우선 이름: Fipronil sulfide
IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
영어명: FIPRONIL-SULFIDE
분자식: C12H4Cl2F6N4S
분자량: 421.15

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 92.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 526

물리화학적 성질

녹는점: 161 · 161-163 °C(Solv: toluene (108-88-3))
끓는 점: 393.2 · 393.2±42.0 °C(Predicted)
밀도: 1.76 · 1.76±0.1 g/cm3(Predicted)
산도 계수 (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: 5 · 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]pyrazole-3-carbonitrile (120067-83-6)

안전 및 규제

유해성 정보

Regulatory InformationCommission Regulation (EC) No 451/2000

독성 정보

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

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

규제 정보

Regulatory InformationCommission Regulation (EC) No 451/2000

안전 데이터

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

화학 및 산업

용도 및 제조

Use Classification · 3건

Transformation products

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

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

응용 분야

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

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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]

추가 설명 · 1건

정의ChEBI: 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.