4-HFA-ST , CAS No.122056-08-0

CAS: 122056-08-0 Cat. No.: H343756 Formula: C₁₁H₈F₆O Molecular Weight: 270.18

Synonyms

2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol | 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-2-propanol | Benzenemethanol, 3-ethenyl-.alpha.,.alpha.-bis(trifluoromethyl)- | FT-0676830 | 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-propan-2-ol | 1,1,1,3,3,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol | 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-2-propanol | Benzenemethanol, 3-ethenyl-.alpha.,.alpha.-bis(trifluoromethyl)- | FT-0676830 | 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-propan-2-ol | 1,1,1,3,3,

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C=CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
• IUPAC Name: 2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• InChIKey: RHDPTOIUYREFCO-UHFFFAOYSA-N
• INCHI: 1S/C11H8F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-6,18H,1H2
• Isomeric SMILES: C=CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
• Molecular Weight: 270.18
• Reaxy-Rn: 11323045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11323045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Tertiary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Tertiary alcohol - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Chemical and Physical Properties

• Boil Point(°C): 74-75°/3mm
• Molecular Weight: 270.170 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 270.048 Da
• Monoisotopic Mass: 270.048 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 284.000
• 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