Hafnium trifluoromethanesulfonate - ≥90% , CAS No.161337-67-3

CAS: 161337-67-3 Cat. No.: H138326 Molecular Weight: 774.77 EC Number: 624-948-5

GRADE & PURITY ≥90%

Synonyms

BQYMOILRPDTPPJ-UHFFFAOYSA-J | T1708 | HAFNIUM TRIFLUOROMETHANESULFONATE | A810251 | MFCD01321255 | Hafnium(IV) triflate | DTXSID201336882 | Hafnium triflate | Hafnium(IV) trifluoromethanesulphonate | AKOS015853193 | Trifluoromethanesulfonic Acid Hafnium(I

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Catalyst for:

· Homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetylene.

· Direct Friedel-Crafts reactions of chromene hemiacetals.

· Aminomethylation reactions under Lewis acidic conditions.

· Prins-type cyclization reactions.

· Direct polycondensation of lactic acid.

· Cationic benzylation reactions.

· Chemoselective thioacetalization and transthioacetalization of carbonyl compounds.

Excellent and recyclable catalyst for the mononitration of o-nitrotoluene.

Hafnium trifluoromethanesulfonate hydrate is an excellent recyclable catalyst for the mononitration of o-nitrotoluene

Specifications

Synonyms

BQYMOILRPDTPPJ-UHFFFAOYSA-J | T1708 | HAFNIUM TRIFLUOROMETHANESULFONATE | A810251 | MFCD01321255 | Hafnium(IV) triflate | DTXSID201336882 | Hafnium triflate | Hafnium(IV) trifluoromethanesulphonate | AKOS015853193 | Trifluoromethanesulfonic Acid Hafnium(I

Specifications & Purity

≥90%

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical 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-].C(F)(F)(F)S(=O)(=O)[O-].[Hf+4]
• IUPAC Name: hafnium(4+);trifluoromethanesulfonate
• InChIKey: BQYMOILRPDTPPJ-UHFFFAOYSA-J
• INCHI: 1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
• Isomeric 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-].C(F)(F)(F)S(=O)(=O)[O-].[Hf+4]
• WGK Germany: 3
• Molecular Weight: 774.77
• Reaxy-Rn: 11552495
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11552495&ln=

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 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
• 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: Soluble in methyl cyanide, dicholomethane, dichloroethane, nitromethane, dioxane, terahydrofuran and toluene.
• Sensitivity: Moisture sensitive
• Melt Point(°C): >350 °C
• Molecular Weight: 774.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 0
• Exact Mass: 775.755 Da
• Monoisotopic Mass: 775.755 Da
• Topological Polar Surface Area: 262.000 Ų
• Heavy Atom Count: 33
• 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: 5

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