4-Chloro-3-fluoropyridine - ≥95% , CAS No.2546-56-7

CAS: 2546-56-7 Cat. No.: C119649 Molecular Weight: 131.54 Beilstein Registry Number: 1422750 EC Number: 629-495-7

GRADE & PURITY ≥95%

Synonyms

AM62391 | EN300-85351 | PYRIDINE, 4-CHLORO-3-FLUORO- | AB15511 | MFCD03453233 | 3-Fluoro-4-chloropyridine | 3-fluoro-4-chloro-pyridine | FT-0634353 | 4-chloro-3-fluoro-pyridin | BCP21109 | 4-chloro-3-fluoro pyridine | 4-Chloro-3-fluoropyridine, >=95.0% |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AM62391 | EN300-85351 | PYRIDINE, 4-CHLORO-3-FLUORO- | AB15511 | MFCD03453233 | 3-Fluoro-4-chloropyridine | 3-fluoro-4-chloro-pyridine | FT-0634353 | 4-chloro-3-fluoro-pyridin | BCP21109 | 4-chloro-3-fluoro pyridine | 4-Chloro-3-fluoropyridine, >=95.0% |

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762767
• Canonical Smiles: C1=CN=CC(=C1Cl)F
• IUPAC Name: 4-chloro-3-fluoropyridine
• InChIKey: BEQUUSCRAKEKQM-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClFN/c6-4-1-2-8-3-5(4)7/h1-3H
• Isomeric SMILES: C1=CN=CC(=C1Cl)F
• WGK Germany: 3
• Molecular Weight: 131.54
• Beilstein: 1422750
• Reaxy-Rn: 1422747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422747&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: Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.5
• Flash Point(°F): 82.4 °F
• Flash Point(°C): 28°C
• Boil Point(°C): 142.0-143.0°C
• Melt Point(°C): -27.0°C--24.0°C
• Molecular Weight: 131.530 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.994 Da
• Monoisotopic Mass: 130.994 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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