Tin trifluoromethanesulfonate - ≥98% , CAS No.62086-04-8

CAS: 62086-04-8 Cat. No.: T102811 Molecular Weight: 416.85 EC Number: 629-277-1 PubChem CID: 2776843

GRADE & PURITY ≥98%

Synonyms

Tin(II) trifluoromethanesulfonate | Tin(II) triflate | tin(ii)trifluoromethanesulfonate | SCHEMBL524993 | Trifluoromethanesulfonic Acid Tin(II) Salt | Stannous trifluoromethanesulfonate | Tin (II) triflate | Stannous triflate | tin(2+);trifluoromethanesul

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; Horner-Wadsworth-Emmons reactions; asymmetric [3 + 2] cycloaddition; ring opening reactions; and Friedel-Crafts Reactions

Specifications

Synonyms

Tin(II) trifluoromethanesulfonate | Tin(II) triflate | tin(ii)trifluoromethanesulfonate | SCHEMBL524993 | Trifluoromethanesulfonic Acid Tin(II) Salt | Stannous trifluoromethanesulfonate | Tin (II) triflate | Stannous triflate | tin(2+);trifluoromethanesul

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+2]
• IUPAC Name: tin(2+);trifluoromethanesulfonate
• InChIKey: RBGLVWCAGPITBS-UHFFFAOYSA-L
• INCHI: 1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+2]
• WGK Germany: 3
• PubChem CID: 2776843
• UN Number: 3261
• Molecular Weight: 416.85
• Reaxy-Rn: 11552396

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic metal halide - Halomethane - Hydrocarbon derivative - Organic salt - Organic oxide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Moisture sensitive
• Molecular Weight: 416.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 417.806 Da
• Monoisotopic Mass: 417.806 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

References

1. Yongli Shi, Chunyan Li, Mingbo Yang, Xiaofei Pan, Jie Hu.  (2022)  Docetaxel-loaded redox-sensitive nanoparticles self-assembling from poly(caprolactone) conjugates with disulfide-linked poly(ethylene glycol).  JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION,      [PMID:35796690] [10.1080/09205063.2022.2099664]

2. Weidong Zhang, Qiang Wu, Jinxin Huang, Lei Fan, Zeyu Shen, Yi He, Qi Feng, Guannan Zhu, Yingying Lu.  (2020)  Colossal Granular Lithium Deposits Enabled by the Grain-Coarsening Effect for High-Efficiency Lithium Metal Full Batteries.  ADVANCED MATERIALS,  32  (24): (2001740).  [PMID:32390225] [10.1002/adma.202001740]

3. Haoyu Deng, Xueting Yang, Hanghang Chen, Dezhan Ye, Xiancai Jiang, Yazhou Chen, Chenyi Wang.  (2024)  Superior initiator reactivity and electrochemical properties of In(OTf)3 over Sn(OTf)2 for 1,3-dioxolane based solid polymer electrolyte.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.113693]