4-(2-Hydroxyethyl)pyridine - ≥98% , CAS No.5344-27-4

CAS: 5344-27-4 Cat. No.: H113413 Peso molecular: 123.15 Número EC: 226-286-9

GRADE & PURITY ≥98%

Synonyms

DWPYQDGDWBKJQL-UHFFFAOYSA-N | 2-pyridin-4-ylethanol | 2-pyridin-4-yl-ethanol | J-506586 | 2-(4-Pyridyl)ethanol | Hypopresol | UNII-I89RDQ5YD9 | Adenosine sulfatophosphate | EINECS 226-286-9 | SY001138 | MFCD00129038 | 4,5-Dimethoxy-6-(2-propenyl)-1,3-benz

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

4-(2-Hydroxyethyl)pyridine acts as a reagent for the protection of carboxyl groups as their 2-(4-pyridyl)ethyl esters in organic synthesis. Further, it is used as an active pharmaceutical ingredient intermediate.

Specifications

Sinónimos

DWPYQDGDWBKJQL-UHFFFAOYSA-N | 2-pyridin-4-ylethanol | 2-pyridin-4-yl-ethanol | J-506586 | 2-(4-Pyridyl)ethanol | Hypopresol | UNII-I89RDQ5YD9 | Adenosine sulfatophosphate | EINECS 226-286-9 | SY001138 | MFCD00129038 | 4, 5-Dimethoxy-6-(2-propenyl)-1, 3-benz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=CC=C1CCO
• IUPAC Name: 2-pyridin-4-ylethanol
• InChIKey: DWPYQDGDWBKJQL-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2
• Isómeros SMILES: C1=CN=CC=C1CCO
• WGK Alemania: 2
• RTECS: UT2971000
• Peso molecular: 123.15
• Reaxy-Rn: 111361
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Solubilidad: Miscible with water.
• Sensibilidad: Hygroscopic.
• Índice de refracción: 1.538
• Punto de inflamación (°F): 92°C
• Punto de inflamación (°C): 92°C
• Punto de ebullición (°C): 121-122°C
• Punto de fusión (°C): 8-10°C
• Peso molecular: 123.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.300
• 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