Hexafluoroacetylacetone - ≥98% , CAS No.1522-22-1

CAS: 1522-22-1 Cat. No.: H102793 Fórmula: CF₃COCH₂COCF₃ Peso molecular: 208.06 Beilstein Registry Number: 1790140 Número EC: 216-191-0

GRADE & PURITY ≥98%

Synonyms

HFAA | STL185660 | 1,1,1,5,5,5-HEXAFLUORO-2,4-PENTANDIONE | Hexafluoroacetylacetone | EN300-20458 | 1,1,1,5,5,5-Hexafluoro-2,4-pentanedione, 98+% | 2,5-Dimethylfuran-d6 | SC11827 | CF3COCH2COCF3 | NSC174351 | SCHEMBL183178 | 1,1,1,5,5,5-Hexafluoroacetylac

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

Application

1,1,1,5,5,5-Hexafluoro-2,4-pentanedione acts as a chelating ligand. It is used as liquid crystal intermediate.

Specifications

Sinónimos

HFAA | STL185660 | 1,1,1,5,5,5-HEXAFLUORO-2,4-PENTANDIONE | Hexafluoroacetylacetone | EN300-20458 | 1,1,1,5,5,5-Hexafluoro-2,4-pentanedione, 98+% | 2,5-Dimethylfuran-d6 | SC11827 | CF3COCH2COCF3 | NSC174351 | SCHEMBL183178 | 1,1,1,5,5,5-Hexafluoroacetylac

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508812469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508812469
• Sonrisas canónicas: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione
• InChIKey: QAMFBRUWYYMMGJ-UHFFFAOYSA-N
• INCHI: 1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
• Isómeros SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 2920
• Grupo de embalaje: II
• Peso molecular: 208.06
• Beilstein: 1790140
• Reaxy-Rn: 1790138
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790138&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-diketone - Alpha-haloketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
• 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

• Solubilidad: Not miscible in water
• Sensibilidad: Hygroscopic.
• Índice de refracción: 1.332
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 32°C
• Punto de ebullición (°C): 70-71°C
• Peso molecular: 208.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 207.996 Da
• Monoisotopic Mass: 207.996 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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

Referencias

1. Lizhen Qiao, Yuan Tao, Honglin Qin, Ruiting Niu.  (2022)  Multi-magnetic center ionic liquids for dispersive liquid-liquid microextraction coupled with in-situ decomposition based back-extraction for the enrichment of parabens in beverage samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36610188] [10.1016/j.chroma.2022.463771]

2. Lizhen Qiao, Yuan Tao, Wang Yao, Jieyu Zhao, Yang Yan.  (2022)  A magnetic ionic liquid based vortex-assisted dispersive liquid-liquid microextraction coupled with back-extraction for the enrichment of fluoroquinolone antibiotics.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:35759827] [10.1016/j.jpba.2022.114903]

3. Li Qiu-Ping, Yan Bing.  (2014)  Luminescent nanoparticles prepared by encapsulating lanthanide chelates to silica sphere.  COLLOID AND POLYMER SCIENCE,  292  (6): (1385-1393).  [PMID:] [10.1007/s00396-014-3196-x]