2-(4-Fluorophenyl)pyridine - ≥98%(GC) , CAS No.58861-53-3

CAS: 58861-53-3 Cat. No.: F404463 Formula: C₁₁H₈FN Peso molecolare: 173.19

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

MFCD06201382 | 2-(4-Fluorophenyl)pyridine | 2-(4-fluorophenyl)-pyridine | A832045 | SY112857 | EINECS 261-473-9 | SCHEMBL1358217 | SB67048 | MHWIDTQQBWGUCD-UHFFFAOYSA-N | BCP12911 | C11H8FN | W17600 | AMY32745 | DS-14426 | AKOS005263746 | FT-0654497 | F07

Storage

Room temperature

Specifiche

Sinonimi

MFCD06201382 | 2-(4-Fluorophenyl)pyridine | 2-(4-fluorophenyl)-pyridine | A832045 | SY112857 | EINECS 261-473-9 | SCHEMBL1358217 | SB67048 | MHWIDTQQBWGUCD-UHFFFAOYSA-N | BCP12911 | C11H8FN | W17600 | AMY32745 | DS-14426 | AKOS005263746 | FT-0654497 | F07

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488187222

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187222

Sorrisi canonici

C1=CC=NC(=C1)C2=CC=C(C=C2)F

IUPAC Name

2-(4-fluorophenyl)pyridine

InChIKey

MHWIDTQQBWGUCD-UHFFFAOYSA-N

INCHI

1S/C11H8FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H

Isomeri SMILES

C1=CC=NC(=C1)C2=CC=C(C=C2)F

Peso molecolare

173.19

Reaxy-Rn

1238854

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 119 °C/6 mmHg
• Punto di fusione (°C): 40 °C
• Peso molecolare: 173.190 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.064 Da
• Monoisotopic Mass: 173.064 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• 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