Sodium Trifluoromethanesulfinate - ≥95% , CAS No.2926-29-6

CAS: 2926-29-6 Cat. No.: S161030 Molecular Weight: 156.05 EC Number: 678-523-4 PubChem CID: 23690734

GRADE & PURITY ≥95%

Synonyms

Trifluoromethanesulfinic Acid Sodium Salt | sodium trifluoromethylsulfinate | sodium tris(fluoranyl)methanesulfinate | SY020090 | Q7553385 | AS-70290 | Methanesulfinic acid, trifluoro-, sodium salt | Perfluoromethane sulfinate sodium | EN300-127737 | AMY3

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Sodium triflinate (Langlois reagent) is a trifluoromethylating reagent used to incorporate trifluoromethyl groups onto aromatic and heteroaromatic moieties.

Specifications

Synonyms

Trifluoromethanesulfinic Acid Sodium Salt | sodium trifluoromethylsulfinate | sodium tris(fluoranyl)methanesulfinate | SY020090 | Q7553385 | AS-70290 | Methanesulfinic acid, trifluoro-, sodium salt | Perfluoromethane sulfinate sodium | EN300-127737 | AMY3

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(F)(F)(F)S(=O)[O-].[Na+]
• IUPAC Name: sodium;trifluoromethanesulfinate
• InChIKey: KAVUKAXLXGRUCD-UHFFFAOYSA-M
• INCHI: 1S/CHF3O2S.Na/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1
• Isomeric SMILES: C(F)(F)(F)S(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 23690734
• Molecular Weight: 156.05
• Reaxy-Rn: 3723394

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Alkanesulfinic acids Organic metal halides Organosulfur compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfinic acid derivative - Alkanesulfinic acid or derivatives - Alkanesulfinic acid - Trihalomethane - Organic alkali metal salt - Organic metal halide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organofluoride - Alkyl fluoride - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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: Moisture sensitive
• Melt Point(°C): <325°C
• Molecular Weight: 156.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 155.947 Da
• Monoisotopic Mass: 155.947 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 89.800
• 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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