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

CAS: 1522-22-1 Cat. No.: H102793 Formula: CF₃COCH₂COCF₃ Peso molecolare: 208.06 Beilstein Registry Number: 1790140 Numero 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

Argon charged,Room temperature

Shipped In

Normale

Panoramica

Applicazione

l'1,1,1,5,5-esafluoro-2,4-pentandione agisce come ligando chelante. Viene utilizzato come intermedio dei cristalli liquidi.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508812469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508812469
• Sorrisi canonici: 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
• Isomeri SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• WGK Germania: 3
• Numero UN: 2920
• Gruppo di imballaggio: II
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Not miscible in water
• Sensibilità: Hygroscopic.
• Indice di rifrazione: 1.332
• Punto di infiammabilità (°F): 89.6 °F
• Punto di infiammabilità (°C): 32°C
• Punto di ebollizione (°C): 70-71°C
• Peso molecolare: 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

Riferimenti

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]