Meptyldinocap - ≥95% , CAS No.131-72-6

CAS: 131-72-6 Cat. No.: M646199 Summenformel: C₁₈H₂₄N₂O₆ Molekulargewicht: 364.39 EG-Nummer: 679-522-1

GRADE & PURITY ≥95%

Synonyms

2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate | AI3-24727 | Meptyldinocap, PESTANAL(R), analytical standard | UNII-OQU8KLU91P | (+/-)-MEPTYLDINOCAP | 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester | AKOS015888353 | Q19296230 | 2,4-Dinitro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Meptyldinocap (2,4-DNOPC) is a novel powdery mildew (Erysiphe necator) fungicide which shows protectant and post-infective activities.

Form:Oil

Specifications

Synonyme

2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate | AI3-24727 | Meptyldinocap, PESTANAL(R), analytical standard | UNII-OQU8KLU91P | (+/-)-MEPTYLDINOCAP | 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester | AKOS015888353 | Q19296230 | 2,4-Dinitro

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

Meptyldinocap (2,4-DNOPC) is a novel powdery mildew (Erysiphe necator) fungicide which shows protectant and post-infective activities.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
• IUPAC Name: (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
• InChIKey: NIOPZPCMRQGZCE-WEVVVXLNSA-N
• INCHI: 1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
• Isomere SMILES: CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C
• Molekulargewicht: 364.39
• Reaxy-Rn: 2019736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2019736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: C-nitro compound - enoate ester

Data sources

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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 150 mg/mL (411.65 mM) Ethanol : 100 mg/mL (274.43 mM; Need ultrasonic)
• Molekulargewicht: 364.400 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 364.163 Da
• Monoisotopic Mass: 364.163 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 511.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referenzen

1. Haoyu Lei, Yuling Hu, Gongke Li.  (2018)  Magnetic poly(phenylene ethynylene) conjugated microporous polymer microspheres for bactericides enrichment and analysis by ultra-high performance liquid chromatography-tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30384964] [10.1016/j.chroma.2018.10.043]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 131-72-6, the molecular formula is C18H24N2O6, and the molecular weight is 364.39 g/mol. InChIKey NIOPZPCMRQGZCE-WEVVVXLNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.