Potent GABA-gated Cl channel blocker (IC 50 = 28 nM). Use as insecticide and in pesticide cytotoxicity studies. Apoptotic and necrotic potential. Active in vitro .

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

Pubchem Sid

508816973

정식 스마일

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

IUPAC Name

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

InChIKey

ZOCSXAVNDGMNBV-UHFFFAOYSA-N

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

이성체 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

WGK 독일

RTECS

UQ4430250

UN 번호

2811

분자량

437.15

Beilstein

8090115

Reaxy-Rn

8090115

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8090115&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Trifluoromethylbenzenes Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Trihalomethanes Sulfoxides Sulfinyl compounds Azacyclic compounds Nitriles Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds Primary amines Organic oxides Organochlorides Organofluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Trifluoromethylbenzene - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Trihalomethane - Sulfoxide - Azacycle - Sulfinyl compound - Carbonitrile - Nitrile - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Halomethane - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Pyrazole insecticides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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Ctenocephalides felis (292 Activities)

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Musca domestica (713 Activities)

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Mus musculus (284745 Activities)

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Plutella xylostella (1838 Activities)

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Rdl GABA receptor subunit (76 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Bemisia tabaci (599 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

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Apolygus lucorum (74 Activities)

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Cheumatopsyche (45 Activities)

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Daphnia magna (43 Activities)

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Trichogramma nubilale (84 Activities)

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Reticulitermes flavipes (47 Activities)

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Phloem (6 Activities)

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작용 메커니즘

인증서(CoA, COO, BSE/TSE 및 분석 차트)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	날짜	항목
B2428406	Certificate of Analysis	Dec 10, 2025	F110005
H2528274	Certificate of Analysis	Sep 08, 2025	F110005
H2528275	Certificate of Analysis	Sep 08, 2025	F110005
H2423169	Certificate of Analysis	Sep 02, 2024	F110005
B2428411	Certificate of Analysis	Mar 08, 2024	F110005
D2122247	Certificate of Analysis	Jan 17, 2023	F110005

화학 및 물리적 특성

녹는점(°C)	196-201°C
분자량	437.100 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	2
Exact Mass	435.939 Da
Monoisotopic Mass	435.939 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	599.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

자주 묻는 질문과 기사

Pyrazole Research Roadmap: Dual-Nitrogen Structural Features, Typical Applications, and Selection-Oriented Classification Navigation (Tables 1–4)

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Pyrazole Pyrazoles

Understanding Organofluorine Heterocycles: Structure Tuning, Applications, Research Selection, and Product Navigation (Tables 1-5)

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Fluorine Organofluorine heterocycles

Citations of This Product

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리뷰

📚 Citations by Application

Other applications17

Spectroscopy sample preparation5

Drug / compound screening7

Organic synthesis — reaction medium7

Extraction & workup solvent15

Crystallization & recrystallization1

Chromatography (HPLC / GC / TLC)7

Electrochemistry & battery electrolyte2

Cytotoxicity screening3

Cell proliferation1

Cell viability1

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Fipronil - analytical standard, ≥98% , CAS No.120068-37-3

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Fipronil - analytical standard, ≥98% , CAS No.120068-37-3

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

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Advanced Data

Molarity Calculator

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