Name: Fenpyroximate , CAS No.111812-58-9
SKU: F344227
Availability: InStock

Fenpyroximate , CAS No.111812-58-9

CAS: 111812-58-9 Cat. No.: F344227 分子式: C₂₄H₂₇N₃O₄ 分子量: 421.49 Beilstein Registry Number: 8352707 EC番号: 601-123-8

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

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注文可能

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 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質 Citations of This Product 参考文献ソリューション計算機レビュー

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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.

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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

同義語

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

pKa	pKa: 1.58

名前と識別子

カノニカル・スマイル	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+
異性体SMILES	CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
WGKドイツ	2
UN番号	2588
包装グループ	II
分子量	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
  - 分類 Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	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
説明	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

3 D構造

関連ターゲット（非人間）

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

MT-ND1 NADH-ubiquinone oxidoreductase chain 1 (124 Activities)

Discover Target: MT-ND1

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

Alternaria solani (773 Activities)

溶解度	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.
屈折率	n20D1.56 (Predicted)
沸点（°C）	546.22° C at 760 mmHg (Predicted)
融点（°C）	101.2-102.4° C
分子量	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]

Fenpyroximate , CAS No.111812-58-9

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

顧客レビュー

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