3-Fluoropyridine - ≥95% , CAS No.372-47-4

CAS: 372-47-4 Cat. No.: F752298 Fórmula: C₅H₄FN Peso molecular: 97.09 Beilstein Registry Number: 105702 Número EC: 206-755-4

GRADE & PURITY ≥95%

Synonyms

3-Fluoropyridine

Storage

Room temperature

Shipped In

Normal

Descripción general

3-Fluoropyridine is oxidized to corresponding N-oxides, which on treatment with hot acetic anhydride and hydrolysis yields 3-halo-2-pyridones. Microwave spectrum of 3-fluoropyridine has been investigated in the frequency range of 8-18GHz at dry ice temperature. Deprotonation of 3-fluoropyridine with Bu3MgLi in THF at -10°C has been studied

Specifications

Sinónimos

3-Fluoropyridine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CN=C1)F

IUPAC Name

3-fluoropyridine

InChIKey

CELKOWQJPVJKIL-UHFFFAOYSA-N

INCHI

1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H

Isómeros SMILES

C1=CC(=CN=C1)F

WGK Alemania

3

Número ONU

1993

Grupo de embalaje

II

Peso molecular

97.09

Beilstein

105702

Reaxy-Rn

105702

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105702&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: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.4720-1.4750
• Punto de inflamación (°F): 55.4 °F
• Punto de inflamación (°C): 13 °C(55°F)
• Punto de ebullición (°C): 106°C
• Peso molecular: 97.090 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.0328 Da
• Monoisotopic Mass: 97.0328 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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

Preguntas frecuentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 372-47-4, the molecular formula is C5H4FN, and the molecular weight is 97.09 g/mol. InChIKey CELKOWQJPVJKIL-UHFFFAOYSA-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.