Hydrogen fluoride-pyridine - pyridine ~30 %, hydrogen fluoride ~70 % , CAS No.62778-11-4

CAS: 62778-11-4 Cat. No.: H107606 Molecular Weight: 99.11 Beilstein Registry Number: 4750150 EC Number: 613-082-3

GRADE & PURITY pyridine ~30 %, hydrogen fluoride ~70 %

Synonyms

PPHF | Olah'#8242 | EINECS 250-889-6 | Pyridinium fluoride | AKOS005254547 | MFCD00012436 | Hydrogen fluoride-pyridine (70% HF) | HF.pyridine | AKOS005254545 | Olah's Reagent | Hydrogen Fluoride-Pyridine;62778-11-4 | pyridine hydrogen fluoride | AKOS00525

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Convenient form of anhydrous HF, stable up to 50°C. Has been used for the preparation of β-fluoroamines from amino alcohols and for the fluorination of acetylenes. Used together with hypervalent iodine(III) reagents for ipso-fluorination of para-substituted phenols providing cyclohexadienones. Employed for geminal fluorination of 2,2-diaryl-1,3-dithiolane?s. Reactant for preparation of: Epimers of shikimic acid with the features of fucosylated glycans via zinc-mediated reductive ring opening followed by a Barbier reaction Vaccinia H1-related (VHR) phosphatase inhibitor with a nonacidic phosphate-mimicking core structure Candidates for nucleic acid drugs ω-substituted gem-difluoroalkanes by oxidative desulfurization-difluorin?ation Reagent for: Halofluorination reactions

Specifications

Synonyms

PPHF | Olah'#8242 | EINECS 250-889-6 | Pyridinium fluoride | AKOS005254547 | MFCD00012436 | Hydrogen fluoride-pyridine (70% HF) | HF.pyridine | AKOS005254545 | Olah's Reagent | Hydrogen Fluoride-Pyridine;62778-11-4 | pyridine hydrogen fluoride | AKOS00525

Specifications & Purity

pyridine ~30 %, hydrogen fluoride ~70 %

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: C1=CC=NC=C1.F
• IUPAC Name: pyridine;hydrofluoride
• InChIKey: GRJJQCWNZGRKAU-UHFFFAOYSA-N
• INCHI: 1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
• Isomeric SMILES: C1=CC=NC=C1.F
• WGK Germany: 2
• Alternate CAS: 32001-55-1
• UN Number: 1790
• Packing Group: I
• Molecular Weight: 99.11
• Beilstein: 4750150
• Reaxy-Rn: 4750151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4750151&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: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Boil Point(°C): 50°/1mm
• Molecular Weight: 99.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.0484 Da
• Monoisotopic Mass: 99.0484 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 30.900
• 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

XLogP3