2,2,2-Trifluoro-1-(3-fluorophenyl)ethanol - ≥98% , CAS No.81577-10-8

CAS: 81577-10-8 Cat. No.: T489581 Peso molecular: 194.13 PubChem CID: 23233552

GRADE & PURITY ≥98%

Synonyms

AKOS010909501 | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-ol | SY249797 | DTXSID80631336 | 3-Fluoro-alpha-(trifluoromethyl)benzyl Alcohol | 1-fluoro-3-(2,2,2-trifluoro-1-hydroxyethyl)benzene | 1-(3-Fluorophenyl)-2,2,2-trifluoroethanol | SCHEMBL2420728 | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS010909501 | 2, 2, 2-Trifluoro-1-(3-fluorophenyl)ethan-1-ol | SY249797 | DTXSID80631336 | 3-Fluoro-alpha-(trifluoromethyl)benzyl Alcohol | 1-fluoro-3-(2, 2, 2-trifluoro-1-hydroxyethyl)benzene | 1-(3-Fluorophenyl)-2, 2, 2-trifluoroethanol | SCHEMBL2420728 | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Pubchem Sid: 504769390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769390
• Sonrisas canónicas: C1=CC(=CC(=C1)F)C(C(F)(F)F)O
• IUPAC Name: 2,2,2-trifluoro-1-(3-fluorophenyl)ethanol
• InChIKey: VFXAHGNGZGBILK-UHFFFAOYSA-N
• INCHI: 1S/C8H6F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
• Isómeros SMILES: C1=CC(=CC(=C1)F)C(C(F)(F)F)O
• PubChem CID: 23233552
• Peso molecular: 194.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Secondary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Fluorohydrin - Halohydrin - Secondary alcohol - Organohalogen compound - Alkyl fluoride - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

• Punto de fusión (°C): 82°C -10H₂O
• Peso molecular: 194.130 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.035 Da
• Monoisotopic Mass: 194.035 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1