Azoxystrobin - analytical standard , CAS No.131860-33-8

Name: Azoxystrobin - analytical standard , CAS No.131860-33-8
Brand: Aladdin Scientific
SKU: A114732
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CAS: 131860-33-8 Cat. No.: A114732 Formula: C₂₂H₁₇N₃O₅ Peso molecolare: 403.39 Numero EC: 603-524-3

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QUALITÀ & PUREZZA Analytical standard ?

Synonyms

(E)-methyl 2-[2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)pheny]-3-methoxypropenoate | Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene)-, methyl ester, (alphaE)- | methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]pheny

Storage

Room temperature

Shipped In

Normal

Scheda delle specifiche

Specifiche Nomi e identificatori Documentazione Dati avanzati Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Citations of This Product Calcolatori di soluzioni Recensioni

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Perché questa qualità

analytical standard Standard analitico per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Room temperature Spedizione Normal. Consultare il COA specifico del lotto per le specifiche esatte.

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SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.

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Prova documentale

Citato in 25 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Specifiche

Sinonimi

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

528770960

Sorrisi canonici

COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC

IUPAC Name

methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

InChIKey

WFDXOXNFNRHQEC-GHRIWEEISA-N

INCHI

1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+

Isomeri SMILES

CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC

WGK Germania

Numero UN

2811

Peso molecolare

403.39

Reaxy-Rn

11343435

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343435&ln=

Documentazione

📋 Scheda di dati di sicurezza (SDS)

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<<<<<<< HEAD Scarica SDS → ======= Scarica SDS → >>>>>>> release248-p3

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Phenyl-beta-methoxyacrylates

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Phenyl-beta-methoxyacrylates
Intermediate Tree Nodes	Not available
Direct Parent	Phenyl-beta-methoxyacrylates
Alternative Parents	Diarylethers Benzonitriles Styrenes Phenoxy compounds Phenol ethers Pyrimidines and pyrimidine derivatives Vinylogous esters Enoate esters Heteroaromatic compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-beta-methoxyacrylate - Diaryl ether - Benzonitrile - Phenoxy compound - Phenol ether - Styrene - Pyrimidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as phenyl-beta-methoxyacrylates. These are aromatic compounds containing a methyl-3-methoxyacrylate moiety that carries a benzyl group at the C-alpha carbon.
External Descriptors	Strobilurin fungicides
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

Struttura 3D

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

MRC5 (9203 Activities)

Lot Number	Certificate Type	Data	Oggetto
L2214876	Certificate of Analysis	Jun 09, 2026	A114732
K2209220	Certificate of Analysis	May 20, 2026	A114732
E2507059	Certificate of Analysis	May 14, 2025	A114732
L2214829	Certificate of Analysis	Sep 20, 2024	A114732
D2530062	Certificate of Analysis	Apr 26, 2024	A114732
K2209052	Certificate of Analysis	Sep 24, 2022	A114732
G1819084	Certificate of Analysis	Feb 16, 2022	A114732

Peso molecolare	403.400 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	403.117 Da
Monoisotopic Mass	403.117 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	646.000
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

Azoxystrobin - analytical standard , CAS No.131860-33-8

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