Fenpyroximate , CAS No.111812-58-9

CAS: 111812-58-9 Cat. No.: F344227 Peso molecular: 421.49 Beilstein Registry Number: 8352707 Número EC: 601-123-8

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Fenpyroximate - CAS No(111812-58-9) by Aladdin Scientific

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Synonyms

4-hydroxy-4-(4-bromophenyl)piperidine | DL-Fenpyroximate | NCGC00163915-04 | (E)-Fenpyroximate | Fenpryroximate | NCGC00163915-02 | tert-butyl 4-[({[(1E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate | tert-Butyl 4-[[[(E)-[(1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

4-hydroxy-4-(4-bromophenyl)piperidine | DL-Fenpyroximate | NCGC00163915-04 | (E)-Fenpyroximate | Fenpryroximate | NCGC00163915-02 | tert-butyl 4-[({[(1E)-(1, 3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate | tert-Butyl 4-[[[(E)-[(1

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

pKa	pKa: 1.58

Nombres e identificadores

Sonrisas canónicas	CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
IUPAC Name	tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
InChIKey	YYJNOYZRYGDPNH-MFKUBSTISA-N
INCHI	1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
Isómeros SMILES	CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
WGK Alemania	2
Número ONU	2588
Grupo de embalaje	II
Peso molecular	421.49
Beilstein	8352707
Reaxy-Rn	11595328
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11595328&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Benzenoid - Monocyclic benzene moiety - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors	Acaricides
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

Estructura 3D

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SK-MEL-2 (46422 Activities)

Solubilidad	Soluble in methanol (15 g/L) at 25° C, acetone (150 g/L) at 25° C, dichloromethane (1307 g/L) at 25° C, chloroform (1197 g/L) at 25° C, and tetrahydrofuran (737 g/L) at 25° C. Insoluble in water.
Índice de refracción	n20D1.56 (Predicted)
Punto de ebullición (°C)	546.22° C at 760 mmHg (Predicted)
Punto de fusión (°C)	101.2-102.4° C
Peso molecular	421.500 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	421.2 Da
Monoisotopic Mass	421.2 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	592.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

1. Yumei Yan, Zhili Liu, Wenfeng Zhou, Haixiang Gao, Runhua Lu. (2023) Construction of multiple modes using gold nanoparticles as probes for the rapid detection of fenpyroximate. Analytical Methods, 15 (13): (1713-1721). [PMID:36938594] [10.1039/D3AY00139C]
2. Jiaxuan Fan, Jing Li, Wenfeng Zhou, Haixiang Gao, Runhua Lu. (2022) A low-cost, efficient and selective detection method of acaricide residues: Adsorption study. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2022.108325]
3. Gu Yu-Xin, Yan Tian-Ci, Yue Zi-Xuan, Li Min-Hui, Zheng Hui, Wang Shu-Ling, Cao Jun. (2022) Dispersive Micro-solid-Phase Extraction of Acaricides from Fruit Juice and Functional Food Using Cucurbituril as Sorbent. Food Analytical Methods, 15 (5): (1356-1367). [PMID:] [10.1007/s12161-021-02209-8]
4. Kipchoge Leviticus, Li Cui, Han Ling, Zhong-Qiang Jia, Qiu-Tang Huang, Zhao-Jun Han, Chun-Qing Zhao, Lu Xu. (2019) Lethal and sublethal effects of fluralaner on the two-spotted spider mites, Tetranychus urticae Koch (Acari: Tetranychidae). PEST MANAGEMENT SCIENCE, 76 (3): (888-893). [PMID:31429178] [10.1002/ps.5593]
5. Bing Peng, Xiaoling Yang, Jiaheng Zhang, Fengpei Du, Wenfeng Zhou, Haixiang Gao, Runhua Lu. (2013) Comparison of two ultrasound-enhanced microextractions combined with HPLC for determining acaricides in water. JOURNAL OF SEPARATION SCIENCE, 36 (13): (2196-2202). [PMID:23596154] [10.1002/jssc.201300283]