Nickel(II) trifluoromethanesulfonate - ≥96% , CAS No.60871-84-3

CAS: 60871-84-3 Cat. No.: N115564 Peso molecular: 356.83 Número EC: 663-776-5

GRADE & PURITY ≥96%

Synonyms

FT-0698677 | Nickel(II) Triflate | AKOS015852955 | AMY9084 | Nickel(II)trifluoromethanesulfonate | nickel(2+);trifluoromethanesulfonate | Nickel(II) trifluoromethanesulfonate, 96% | SC10026 | SCHEMBL161472 | Ni(OTf)2 | Nickel(II)trifluoromethanesulfonate,

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

FT-0698677 | Nickel(II) Triflate | AKOS015852955 | AMY9084 | Nickel(II)trifluoromethanesulfonate | nickel(2+);trifluoromethanesulfonate | Nickel(II) trifluoromethanesulfonate, 96% | SC10026 | SCHEMBL161472 | Ni(OTf)2 | Nickel(II)trifluoromethanesulfonate,

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504764910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764910
• Sonrisas canónicas: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ni+2]
• IUPAC Name: nickel(2+);trifluoromethanesulfonate
• InChIKey: KVRSDIJOUNNFMZ-UHFFFAOYSA-L
• INCHI: 1S/2CHF3O3S.Ni/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• Isómeros SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ni+2]
• WGK Alemania: 3
• Peso molecular: 356.83
• Reaxy-Rn: 10590495
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10590495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organic transition metal salts Organic metal halides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic metal halide - Organic transition metal salt - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic salt - Halomethane - Organic oxide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl 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: Partly soluble in water.
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 100-106°C
• Peso molecular: 356.840 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 355.839 Da
• Monoisotopic Mass: 355.839 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 145.000
• 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: 3

XLogP3

Referencias

1. Dong-Mei Ma, Aishun Ding, Hao Guo, Meng Chen, Dong-Jin Qian.  (2019)  Luminescent properties of newly synthesized thioxanthone-polypyridyl derivatives and their metal-organic complexes.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2019.04.010]