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

CAS: 2822-41-5 Cat. No.: T123536 Formule: C₆H₃F₃O Poids moléculaire: 148.08 Beilstein Registry Number: 6(4)781 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508807612

Sourires canoniques

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

Isomères SMILES

C1=CC(=C(C(=C1O)F)F)F

WGK Allemagne

3

PubChem CID

123174

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Indice de réfraction: 1.465
• Point d'éclair (°F): 138.2 °F
• Point d'éclair (°C): 58℃
• Point d'ébullition (°C): 68-70°C
• Point de fusion (°C): 28.0°C-32.0°C
• Poids moléculaire: 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