Thallium Trifluoroacetate - ≥95%(T) , CAS No.23586-53-0

CAS: 23586-53-0 Cat. No.: T161482 Molecular Weight: 543.43 EC Number: 245-761-1 PubChem CID: 90200

GRADE & PURITY ≥95%(T)

Synonyms

TTFA | AKOS015852671 | thallium (III) trifluoroacetate | thallium tris(trifluoroacetate) | EINECS 245-761-1 | T1351 | thallium(III)trifluoroacetate | Tris(trifluoroacetato)thallium | 2,2,2-Trifluoroacetic acid, thallium(3+) salt (3:1) | Thallium(III) trif

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

An oxidizing agent, used for the synthesis of S-substituted cysteine peptides and proteins containing disulfide bonds.

Specifications

Synonyms

TTFA | AKOS015852671 | thallium (III) trifluoroacetate | thallium tris(trifluoroacetate) | EINECS 245-761-1 | T1351 | thallium(III)trifluoroacetate | Tris(trifluoroacetato)thallium | 2, 2, 2-Trifluoroacetic acid, thallium(3+) salt (3:1) | Thallium(III) trif

Specifications & Purity

≥95%(T)

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

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504756017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756017
• Canonical Smiles: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Tl+3]
• IUPAC Name: thallium(3+);2,2,2-trifluoroacetate
• InChIKey: PSHNNUKOUQCMSG-UHFFFAOYSA-K
• INCHI: 1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
• Isomeric SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Tl+3]
• PubChem CID: 90200
• Molecular Weight: 543.43
• Reaxy-Rn: 9726887

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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 water (decomposes).
• Sensitivity: Moisture sensitive，air sensitive
• Melt Point(°C): 213 °C(dec.)
• Molecular Weight: 543.430 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 0
• Exact Mass: 543.93 Da
• Monoisotopic Mass: 543.93 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 77.900
• 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