2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol - ≥97% , CAS No.2787-79-3

CAS: 2787-79-3 Cat. No.: T162427 Peso molecular: 234.07 Número EC: 623-632-4 PubChem CID: 2776810

GRADE & PURITY ≥97%

Synonyms

4-trifluoromethyltetrafluoro-phenol | Tetrafluoro-4-(trifluoromethyl)phenol | C7HF7O | T1983 | 2,3,5,6-Tetrafluoro-4-hydroxybenzotrifluoride | AKOS015853310 | AS-66604 | 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol | HZQGKHUTYHEFBT-UHFFFAOYSA-N | 2,3,5,6

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol (Perfluoro-p-cresol), an organofluorine compound, is an aryl fluorinated building block. It is a colorless liquid having hygroscopic properties and a faintly phenolic odor. It has been prepared by using octafluorotoluene as starting reagent.Various physical properties (density, refractive index, freezing point and boiling point) of 2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol have been reported.

Specifications

Sinónimos

4-trifluoromethyltetrafluoro-phenol | Tetrafluoro-4-(trifluoromethyl)phenol | C7HF7O | T1983 | 2, 3, 5, 6-Tetrafluoro-4-hydroxybenzotrifluoride | AKOS015853310 | AS-66604 | 2, 3, 5, 6-Tetrafluoro-4-(trifluoromethyl)phenol | HZQGKHUTYHEFBT-UHFFFAOYSA-N | 2, 3, 5, 6

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193708
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193708
• Sonrisas canónicas: C1(=C(C(=C(C(=C1F)F)O)F)F)C(F)(F)F
• IUPAC Name: 2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol
• InChIKey: HZQGKHUTYHEFBT-UHFFFAOYSA-N
• INCHI: 1S/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
• Isómeros SMILES: C1(=C(C(=C(C(=C1F)F)O)F)F)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 2776810
• Peso molecular: 234.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: O-fluorophenols M-fluorophenols Fluorobenzenes Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: n20/D 1.414 (lit.)
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82 °C
• Punto de ebullición (°C): 163-164 °C (lit.)
• Punto de fusión (°C): 27 °C
• Peso molecular: 234.070 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 233.992 Da
• Monoisotopic Mass: 233.992 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• 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