3-Chloro-2,4,5,6-tetrafluoropyridine - ≥98%(GC) , CAS No.1735-84-8

CAS: 1735-84-8 Cat. No.: C133039 Molecular Weight: 185.51 Beilstein Registry Number: 20(5)5,415 EC Number: 629-102-9

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0615304 | AM84610 | AC8881 | 3-chloranyl-2,4,5,6-tetrakis(fluoranyl)pyridine | A3836 | C5ClF4N | Pyridine, 3-chloro-2,4,5,6-tetrafluoro- | SCHEMBL502245 | DS-5211 | AC-24490 | SY048750 | A811531 | 2-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINE | J-512177 | 3-Chl

Storage

Room temperature

Shipped In

Normal

Overview

It is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc.3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.

Specifications

Synonyms

FT-0615304 | AM84610 | AC8881 | 3-chloranyl-2, 4, 5, 6-tetrakis(fluoranyl)pyridine | A3836 | C5ClF4N | Pyridine, 3-chloro-2, 4, 5, 6-tetrafluoro- | SCHEMBL502245 | DS-5211 | AC-24490 | SY048750 | A811531 | 2-CHLORO-2, 4, 5, 6-TETRAFLUOROPYRIDINE | J-512177 | 3-Chl

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504757111
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757111
• Canonical Smiles: C1(=C(C(=NC(=C1Cl)F)F)F)F
• IUPAC Name: 3-chloro-2,4,5,6-tetrafluoropyridine
• InChIKey: UXUZMYHSICIOQT-UHFFFAOYSA-N
• INCHI: 1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9
• Isomeric SMILES: C1(=C(C(=NC(=C1Cl)F)F)F)F
• WGK Germany: 3
• Molecular Weight: 185.51
• Beilstein: 20(5)5,415
• Reaxy-Rn: 475873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475873&ln=

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 Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - 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

• Refractive Index: 1.43
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 71 °C/99 mmHg
• Molecular Weight: 185.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 184.966 Da
• Monoisotopic Mass: 184.966 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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