Copper(I) trifluoromethanesulfonate benzene complex (2:1) - ≥90% , CAS No.37234-97-2

CAS: 37234-97-2 Cat. No.: C115569 Molecular Weight: 503.33 EC Number: 680-450-8

GRADE & PURITY ≥90%

Synonyms

AKOS024438726 | (trifluoromethylsulfonyloxy)copper | COPPER(I) TRIFLUOROMETHANESULFONATE | copper-(I) trifluoromethanesulfonate | Q56459065 | SCHEMBL164548 | SY011746 | copper(1+);trifluoromethanesulfonate | cu(ii) triflate | AMY9078 | copper (I) triflate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS024438726 | (trifluoromethylsulfonyloxy)copper | COPPER(I) TRIFLUOROMETHANESULFONATE | copper-(I) trifluoromethanesulfonate | Q56459065 | SCHEMBL164548 | SY011746 | copper(1+);trifluoromethanesulfonate | cu(ii) triflate | AMY9078 | copper (I) triflate

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[O-].[Cu+]
• IUPAC Name: copper(1+);trifluoromethanesulfonate
• InChIKey: YNYHGRUPNQLZHB-UHFFFAOYSA-M
• INCHI: 1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[O-].[Cu+]
• UN Number: 3181
• Packing Group: III
• Molecular Weight: 503.33
• Reaxy-Rn: 4028011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4028011&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 metal halides Organofluorides Organic oxides Organic copper salts Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic metal halide - Organic transition metal salt - Alkyl fluoride - Alkyl halide - Organic copper salt - 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

• Sensitivity: Air sensitive.Moisture sensitive.
• Molecular Weight: 212.620 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 211.882 Da
• Monoisotopic Mass: 211.882 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 9
• 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: 2

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