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

CAS: 2822-41-5 Cat. No.: T123536 Fórmula: C₆H₃F₃O Peso molecular: 148.08 Beilstein Registry Number: 6(4)781 Número CE: 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

Visão geral

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508807612
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC(=C(C(=C1O)F)F)F
• WGK Alemanha: 3
• PubChem CID: 123174
• Peso molecular: 148.08
• Beilstein: 6(4)781
• Reaxy-Rn: 3245610

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Índice de refração: 1.465
• Ponto de inflamação (°F): 138.2 °F
• Ponto de inflamação (°C): 58℃
• Ponto de ebulição (°C): 68-70°C
• Ponto de fusão (°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