Hexafluoroacetone trihydrate - ≥95% , CAS No.34202-69-2

CAS: 34202-69-2 Cat. No.: H117616 Peso molecular: 220.07 Beilstein Registry Number: 607236 Número EC: 629-519-6

GRADE & PURITY ≥95%

Synonyms

MFCD00149061 | 2-Propanone, 1,1,1,3,3,3-hexafluoro-,?hydrate (1:3) | J-521439 | Hexafluoroacetone trihydrate, 98% | 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate | 2-Propanone, hexafluoro-, trihydrate | 1,1,1,3,3,3-hexafluoropropan-2-one trihydrate | AKOS

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

MFCD00149061 | 2-Propanone, 1, 1, 1, 3, 3, 3-hexafluoro-, ?hydrate (1:3) | J-521439 | Hexafluoroacetone trihydrate, 98% | 1, 1, 1, 3, 3, 3-hexafluoropropan-2-one;trihydrate | 2-Propanone, hexafluoro-, trihydrate | 1, 1, 1, 3, 3, 3-hexafluoropropan-2-one trihydrate | AKOS

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(F)(F)F)C(F)(F)F.O.O.O
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate
• InChIKey: SNZAEUWCEHDROX-UHFFFAOYSA-N
• INCHI: 1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2
• Isómeros SMILES: C(=O)(C(F)(F)F)C(F)(F)F.O.O.O
• WGK Alemania: 3
• RTECS: UC2700000
• CAS alternativo: 13098-39-0
• Número ONU: 2552
• Grupo de embalaje: II
• Peso molecular: 220.07
• Beilstein: 607236
• Reaxy-Rn: 607236

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-haloketones
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-haloketone - 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 alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
• 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: Solubility in water: Completely soluble
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.319
• Punto de ebullición (°C): 105-106°C
• Punto de fusión (°C): 18-21°C
• Peso molecular: 220.070 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 220.017 Da
• Monoisotopic Mass: 220.017 Da
• Topological Polar Surface Area: 20.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 124.000
• 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: 4

XLogP3

Referencias

1. Ye Zhu, Zhixuan Cheng, Qun Xiang, Xikun Chen, Jiaqiang Xu.  (2016)  Synthesis of functionalized mesoporous TiO2-SiO2 with organic fluoroalcohol as high performance DMMP gas sensor.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2016.10.080]

2. Huimin Li, Qi Zheng, Jun Luo, Zhixuan Cheng, Jiaqiang Xu.  (2013)  Impacts of meso-structure and organic loadings of fluoroalcohol derivatives/SBA-15 hybrids on nerve agent simulant sensing.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2013.04.122]