1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol - ≥98%(GC) , CAS No.646-97-9

CAS: 646-97-9 Cat. No.: T161934 Peso molecular: 208.10 Número EC: 613-651-6

GRADE & PURITY ≥98%(GC)

Synonyms

J-503694 | 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol # | 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol | 4-Penten-2-ol,1,1-trifluoro-2-(trifluoromethyl)- | AMY6825 | BTHB | MFCD03092986 | FT-0610995 | 1,1,1-trifluoro-2-trifluoromethyl-pent-4-e

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

J-503694 | 1, 1, 1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol # | 1, 1, 1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol | 4-Penten-2-ol, 1, 1-trifluoro-2-(trifluoromethyl)- | AMY6825 | BTHB | MFCD03092986 | FT-0610995 | 1, 1, 1-trifluoro-2-trifluoromethyl-pent-4-e

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=CCC(C(F)(F)F)(C(F)(F)F)O
• IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
• InChIKey: VHSCQANAKTXZTG-UHFFFAOYSA-N
• INCHI: 1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2
• Isómeros SMILES: C=CCC(C(F)(F)F)(C(F)(F)F)O
• Número ONU: 1993
• Grupo de embalaje: II
• Peso molecular: 208.10
• Reaxy-Rn: 1841600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Fluorohydrins Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Halohydrin - Fluorohydrin - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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: 1.33
• Punto de inflamación (°C): 26 °C
• Punto de ebullición (°C): 100°C(lit.)
• Peso molecular: 208.100 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 208.032 Da
• Monoisotopic Mass: 208.032 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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