Methyl Isonicotinate - ≥98% , CAS No.2459-09-8

CAS: 2459-09-8 Cat. No.: M157816 Peso molecular: 137.14 Beilstein Registry Number: 22,46 Número EC: 219-546-8

GRADE & PURITY ≥98%

Synonyms

4-Carbomethoxypyridine | AKOS000121257 | Methylisonicotinate | 4-Picolinic acid methyl ester | W-106173 | FT-0627427 | methylpyridine-4-carboxylate | Focal Adhesion Kinase Inhibitor I - CAS 4506-66-5 | NCGC00020832-01 | UNII-AH74GPR4IK | FT-0651801 | AKOS

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Methyl isonicotinate can be used in: ? The preparation of various photosensitizers for applications in dye-sensitized solar cells (DSSCs). ? Synthesizing luminophore for luminescent metal-organic framework (MOF). ? Nonaqueous redox flow batteries as pyridine-based anolyte material that undergoes two reversible reductions in solutions with Li-ion electrolytes.

Specifications

Sinónimos

4-Carbomethoxypyridine | AKOS000121257 | Methylisonicotinate | 4-Picolinic acid methyl ester | W-106173 | FT-0627427 | methylpyridine-4-carboxylate | Focal Adhesion Kinase Inhibitor I - CAS 4506-66-5 | NCGC00020832-01 | UNII-AH74GPR4IK | FT-0651801 | AKOS

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757959
• Sonrisas canónicas: COC(=O)C1=CC=NC=C1
• IUPAC Name: methyl pyridine-4-carboxylate
• InChIKey: OLXYLDUSSBULGU-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
• Isómeros SMILES: COC(=O)C1=CC=NC=C1
• Peso molecular: 137.14
• Beilstein: 22,46
• Reaxy-Rn: 114618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

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

Objetivos asociados (no humanos)

Frankliniella occidentalis (90 Activities)

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

Thrips tabaci (33 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Índice de refracción: 1.512
• Punto de inflamación (°F): 179.6℉
• Punto de inflamación (°C): 82°C
• Punto de ebullición (°C): 207-209 °C
• Punto de fusión (°C): 8-8.5 °C
• Peso molecular: 137.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1