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

CAS: 2459-09-8 Cat. No.: M157816 Fórmula: C₇H₇NO₂ Peso molecular: 137.14 Beilstein Registry Number: 22,46 Número CE: 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

Visão geral

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504757959

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757959

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Sensibilidade: Light Sensitive,Air Sensitive,Heat Sensitive
• Índice de refração: 1.512
• Ponto de inflamação (°F): 179.6℉
• Ponto de inflamação (°C): 82°C
• Ponto de ebulição (°C): 207-209 °C
• Ponto de fusão (°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