1-Fluoro-2,6-dichloropyridinium Tetrafluoroborate [Fluorinating Reagent] - ≥95% , CAS No.140623-89-8

CAS: 140623-89-8 Cat. No.: F156743 Molecular Weight: 253.79 EC Number: 626-949-6 PubChem CID: 2737307

GRADE & PURITY ≥95%

Synonyms

2,6-dichloro-1-fluoropyridin-1-ium;tetrafluoroborate | 2,6-Dichloro-1-fluoropyridinium tetrafluoroborate, 97% | JVYBYXWHPIEUOT-UHFFFAOYSA-N | MFCD00153157 | DTXSID90371978 | 2,6-bis(chloranyl)-1-fluoranyl-pyridin-1-ium tetrafluoroborate | D90664 | 2,6-Dic

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 6-dichloro-1-fluoropyridin-1-ium;tetrafluoroborate | 2, 6-Dichloro-1-fluoropyridinium tetrafluoroborate, 97% | JVYBYXWHPIEUOT-UHFFFAOYSA-N | MFCD00153157 | DTXSID90371978 | 2, 6-bis(chloranyl)-1-fluoranyl-pyridin-1-ium tetrafluoroborate | D90664 | 2, 6-Dic

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1=CC(=[N+](C(=C1)Cl)F)Cl
• IUPAC Name: 2,6-dichloro-1-fluoropyridin-1-ium;tetrafluoroborate
• InChIKey: JVYBYXWHPIEUOT-UHFFFAOYSA-N
• INCHI: 1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C1=CC(=[N+](C(=C1)Cl)F)Cl
• WGK Germany: 3
• PubChem CID: 2737307
• Molecular Weight: 253.79
• Reaxy-Rn: 9446003

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridinium - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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: Light & Air & Moisture & Heat sensitive
• Melt Point(°C): 212-215 °C (lit.)
• Molecular Weight: 253.790 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 252.966 Da
• Monoisotopic Mass: 252.966 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 110.000
• 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: 2

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