Bismuth(III) trifluoromethanesulfonate - ≥98% , CAS No.88189-03-1

CAS: 88189-03-1 Cat. No.: B113622 Peso molecular: 656.19 Número EC: 628-926-6

GRADE & PURITY ≥98%

Synonyms

MFCD02093669 | 51KD8E1741 | bismuth (III) triflate | Bismuth(III) trifluoromethanesulfonate | FT-0676865 | UNII-51KD8E1741 | bismuth;trifluoromethanesulfonate | Bismuth(3+) trifluoromethanesulfonate | F15443 | NYENCOMLZDQKNH-UHFFFAOYSA-K | Bismuth triflat

Storage

Argon charged

Shipped In

Normal

Descripción general

application：

Catalyzes direct substitution of allylic, propargylic, and benzylic alcohols with sulfonamides, carbamates, and carboxamides.

Bismuth(III) trifluoromethanesulfonate may be used as a catalyst in the following processes:

• deprotection of acetals

• cleavage of 2-tert-butoxy derivatives of thiophenes and furans

• allylation of acetals to form homoallyl ethers

It may also be used as a substitute to corrosive triflic acid in Friedel-Crafts (FC) acylation and sulfonylation of arenes.

Specifications

Sinónimos

MFCD02093669 | 51KD8E1741 | bismuth (III) triflate | Bismuth(III) trifluoromethanesulfonate | FT-0676865 | UNII-51KD8E1741 | bismuth;trifluoromethanesulfonate | Bismuth(3+) trifluoromethanesulfonate | F15443 | NYENCOMLZDQKNH-UHFFFAOYSA-K | Bismuth triflat

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765088
• Sonrisas canónicas: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3]
• IUPAC Name: bismuth;trifluoromethanesulfonate
• InChIKey: NYENCOMLZDQKNH-UHFFFAOYSA-K
• INCHI: 1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• Isómeros SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3]
• WGK Alemania: 3
• Peso molecular: 656.19
• Reaxy-Rn: 10290971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10290971&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 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 - 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: Soluble in organics acetonitrile, dioxane, dimethyl formamide and dimethyl sulfoxide
• Sensibilidad: Hygroscopic.
• Punto de fusión (°C): 300°C
• Peso molecular: 656.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 655.836 Da
• Monoisotopic Mass: 655.836 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 25
• 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: 4

XLogP3

Referencias

1. Muhammad Umair Ahmad, Guoying Zhao, Shahid Hussain.  (2023)  Trifloaluminate Ionic Liquids Supported UIO-67 as Lewis Acidic Catalyst for Excellent Synthesis of Alkyl Levulinates.  ChemistrySelect,  8  (43): (e202302665).  [PMID:] [10.1002/slct.202302665]

2. Yuan Lei, Guang Yang, Qiang Huang, Jibo Dou, Lijing Dai, Fengjie Deng, Meiying Liu, Xiancai Li, Xiaoyong Zhang, Yen Wei.  (2021)  Facile synthesis of ionic liquid modified silica nanoparticles for fast removal of anionic organic dyes with extremely high adsorption capacity.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.117966]

3. Saisai Li, Xianghua Kong, Xu-Sheng Zhang, Wenhong Liu, Hao Luo, Qingchun Yang, Zhiwei Li, Ying Zhang, Bao Li, Wen-Peng Wang, Sen Xin, Dawei Zhang.  (2025)  A Bismuth-Derived, Inorganic-Rich Artificial Solid Electrolyte Interphase Enables a Stable and Dendrite-Free Lithium-Metal Anode in Rechargeable Batteries.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202504379]