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

CAS: 2822-41-5 Cat. No.: T123536 Summenformel: C₆H₃F₃O Molekulargewicht: 148.08 Beilstein Registry Number: 6(4)781 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508807612
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=C(C(=C1O)F)F)F
• WGK Deutschland: 3
• PubChem CID: 123174
• Molekulargewicht: 148.08
• Beilstein: 6(4)781
• Reaxy-Rn: 3245610

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Fluorophenols
          • Ebene6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.465
• Flammpunkt (°F): 138.2 °F
• Flammpunkt (°C): 58℃
• Siedepunkt (°C): 68-70°C
• Schmelzpunkt (°C): 28.0°C-32.0°C
• Molekulargewicht: 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