2,3,4-Trifluorophenol - ≥98% , CAS No.2822-41-5

CAS: 2822-41-5 Cat. No.: T123536 Peso molecular: 148.08 Beilstein Registry Number: 6(4)781 Número EC: 624-427-2 PubChem CID: 123174

GRADE & PURITY ≥98%

Synonyms

Phenol,2,3,4-trifluoro- | 2,3,4-tris(fluoranyl)phenol | InChI=1/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H | Phenol, 2,3,4-trifluoro- | 2,3,4-Trifluorophenol, 97% | AM61881 | CK1182 | BP-10409 | EN300-22404 | AC-3817 | T1616 | 2,3,4-Trifluorophenol | FT-060

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2,3,4-Trifluorophenol is an ortho-fluorinated trifluorophenol. Biodegradation and oxidative biodehalogenation of 2,3,4-trifluorophenol has been studied by 19F nuclear magnetic resonance (NMR) spectra.

Specifications

Sinónimos

Phenol, 2, 3, 4-trifluoro- | 2, 3, 4-tris(fluoranyl)phenol | InChI=1/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2, 10H | Phenol, 2, 3, 4-trifluoro- | 2, 3, 4-Trifluorophenol, 97% | AM61881 | CK1182 | BP-10409 | EN300-22404 | AC-3817 | T1616 | 2, 3, 4-Trifluorophenol | FT-060

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1O)F)F)F
• IUPAC Name: 2,3,4-trifluorophenol
• InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
• INCHI: 1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
• Isómeros SMILES: C1=CC(=C(C(=C1O)F)F)F
• WGK Alemania: 3
• PubChem CID: 123174
• Peso molecular: 148.08
• Beilstein: 6(4)781
• Reaxy-Rn: 3245610

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-fluorophenols M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 2-fluorophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the benzene ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.465
• Punto de inflamación (°F): 138.2 °F
• Punto de inflamación (°C): 58℃
• Punto de ebullición (°C): 68-70°C
• Punto de fusión (°C): 28.0°C-32.0°C
• Peso molecular: 148.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.014 Da
• Monoisotopic Mass: 148.014 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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