3-Fluoropyridine - ≥99% , CAS No.372-47-4

CAS: 372-47-4 Cat. No.: F119663 Formula: C₅H₄FN Molecular Weight: 97.09 Beilstein Registry Number: 105702 EC Number: 206-755-4

GRADE & PURITY ≥99%

Synonyms

3-Fluoropyridine|3-fluoro-pyridine|3-fluropyridine|3-Fluoro-pyridinium|Pyridine, 3-fluoro-

Storage

Room temperature

Shipped In

Normal

Overview

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

Synonyms

3-Fluoropyridine | 3-fluoro-pyridine | 3-fluropyridine | 3-Fluoro-pyridinium | Pyridine, 3-fluoro-

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488184013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184013

Canonical Smiles

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

Isomeric SMILES

C1=CC(=CN=C1)F

WGK Germany

3

UN Number

1993

Packing Group

II

Molecular Weight

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
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4720-1.4750
• Flash Point(°F): 55.4 °F
• Flash Point(°C): 13 °C(55°F)
• Boil Point(°C): 106°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% 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.