1-Fluoropyridinium Tetrafluoroborate [Fluorinating Reagent] - ≥95%(T) , CAS No.107264-09-5

CAS: 107264-09-5 Cat. No.: F156747 Molecular Weight: 184.90 Beilstein Registry Number: 4281230 EC Number: 625-406-0 PubChem CID: 2733303

GRADE & PURITY ≥95%(T)

Synonyms

SCHEMBL65513 | DTXSID90369835 | 1-Fluoropyridinium tetrafluoroborate, >=95% | 1-Fluoropyridinium tetrafluoroborate | 1-fluoropyridin-1-ium;tetrafluoroborate | LS-13034 | J-001748 | MFCD00153176 | 1-Fluoropyridiniumtetrafluoroborate | N-Fluoropyridinium te

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1-Fluoropyridinium tetrafluoroborate (N-Fluoropyridinium tetrafluoroborate), an N-fluorinated compound, is an electrophilic fluorinating reagent (containing N and F double bond). Controlled potential electrolysis of 1-fluoropyridinium tetrafluoroborate has been reported to afford pyridine, 2-fluoropyridine and 2-acetamidopyridine.

Specifications

Synonyms

SCHEMBL65513 | DTXSID90369835 | 1-Fluoropyridinium tetrafluoroborate, >=95% | 1-Fluoropyridinium tetrafluoroborate | 1-fluoropyridin-1-ium;tetrafluoroborate | LS-13034 | J-001748 | MFCD00153176 | 1-Fluoropyridiniumtetrafluoroborate | N-Fluoropyridinium te

Specifications & Purity

≥95%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504760991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760991
• Canonical Smiles: [B-](F)(F)(F)F.C1=CC=[N+](C=C1)F
• IUPAC Name: 1-fluoropyridin-1-ium;tetrafluoroborate
• InChIKey: PIGQKECRKGMXRG-UHFFFAOYSA-N
• INCHI: 1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C1=CC=[N+](C=C1)F
• WGK Germany: 3
• PubChem CID: 2733303
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 184.90
• Beilstein: 4281230
• Reaxy-Rn: 4281226

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 190-197℃
• Molecular Weight: 184.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 185.044 Da
• Monoisotopic Mass: 185.044 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 69.200
• 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: 2

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