Pentafluoropyridine - ≥98%(GC) , CAS No.700-16-3

CAS: 700-16-3 Cat. No.: P136710 Formula: C₅F₅N Molecular Weight: 169.05 Beilstein Registry Number: 1427060 EC Number: 211-839-9 PubChem CID: 69690

GRADE & PURITY ≥98%(GC)

Synonyms

2,3,4,5,6-Perfluoropyridine | Perfluoropyridine | MFCD00006225 | W-104574 | SCHEMBL188694 | Pentafluoropyridine, >=99% | C5F5N | EINECS 211-839-9 | P0926 | FT-0619350 | PS-10163 | DTXSID70220258 | Pyridine, pentafluoro- | AMY12530 | AKOS005063396 | Pentaf

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

The reactions of pentafluoropyridine with cobalt(0) complex, Co(PMe3)4 was investigated.

Specifications

Synonyms

2,3,4,5,6-Perfluoropyridine | Perfluoropyridine | MFCD00006225 | W-104574 | SCHEMBL188694 | Pentafluoropyridine, >=99% | C5F5N | EINECS 211-839-9 | P0926 | FT-0619350 | PS-10163 | DTXSID70220258 | Pyridine, pentafluoro- | AMY12530 | AKOS005063396 | Pentaf

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754426
• Canonical Smiles: C1(=C(C(=NC(=C1F)F)F)F)F
• IUPAC Name: 2,3,4,5,6-pentafluoropyridine
• InChIKey: XTGOWLIKIQLYRG-UHFFFAOYSA-N
• INCHI: 1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
• Isomeric SMILES: C1(=C(C(=NC(=C1F)F)F)F)F
• WGK Germany: 3
• PubChem CID: 69690
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 169.05
• Beilstein: 1427060
• Reaxy-Rn: 1427064

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 Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - 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 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

• Solubility: Not miscible or difficult to mix in water.
• Refractive Index: 1.386
• Flash Point(°F): 77 °F
• Flash Point(°C): 25°C(lit.)
• Boil Point(°C): 83°C
• Molecular Weight: 169.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 168.995 Da
• Monoisotopic Mass: 168.995 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 700-16-3, the molecular formula is C5F5N, and the molecular weight is 169.05 g/mol. InChIKey XTGOWLIKIQLYRG-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.