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

CAS: 1522-22-1 Cat. No.: H102793 Formule: CF₃COCH₂COCF₃ Poids moléculaire: 208.06 Beilstein Registry Number: 1790140 Numéro CE: 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

Vue d’ensemble

Application

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508812469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508812469
• Sourires canoniques: 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
• Isomères SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• WGK Allemagne: 3
• Numéro ONU: 2920
• Groupe d'emballage: II
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Not miscible in water
• Sensibilité: Hygroscopic.
• Indice de réfraction: 1.332
• Point d'éclair (°F): 89.6 °F
• Point d'éclair (°C): 32°C
• Point d'ébullition (°C): 70-71°C
• Poids moléculaire: 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

Références

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]