Zinc trifluoroacetate - Zn ≤ 21.8 % , CAS No.207801-31-8

CAS: 207801-31-8 Cat. No.: Z332569 Molecular Weight: 291.42 (anhydrous basis) EC Number: 628-743-1

GRADE & PURITY Zn ≤ 21.8 %

Synonyms

Zinc(II)2,2,2-trifluoroacetatexhydrate | zinc;2,2,2-trifluoroacetate;hydrate | Zinc trifluoroacetate--water (1/2/1) | DTXSID00724996 | Zinc, bis(2,2,2-trifluoroacetato-.kappa.O)-,?hydrate (1:1) | AMY37341 | AKOS025294878 | Zinc trifluoroacetate hydrate |

Storage

Room temperature

Shipped In

Normal

Overview

Zinc trifluoroacetate is a useful biochemical for proteomics research.

Specifications

Synonyms

Zinc(II)2, 2, 2-trifluoroacetatexhydrate | zinc;2, 2, 2-trifluoroacetate;hydrate | Zinc trifluoroacetate--water (1/2/1) | DTXSID00724996 | Zinc, bis(2, 2, 2-trifluoroacetato-.kappa.O)-, ?hydrate (1:1) | AMY37341 | AKOS025294878 | Zinc trifluoroacetate hydrate |

Specifications & Purity

Zn ≤ 21.8 %

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504771585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771585
• Canonical Smiles: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.[Zn+2]
• IUPAC Name: zinc;2,2,2-trifluoroacetate;hydrate
• InChIKey: VUNLDTPRUICHRY-UHFFFAOYSA-L
• INCHI: 1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2
• Isomeric SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.[Zn+2]
• WGK Germany: 3
• Alternate CAS: 21907-47-1
• Molecular Weight: 291.42 (anhydrous basis)

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 transition metal salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic transition metal salt - Monocarboxylic acid or derivatives - Alkyl fluoride - Alkyl halide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - 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

• Molecular Weight: 309.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 307.91 Da
• Monoisotopic Mass: 307.91 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 16
• 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

References

1. Junyao Shen, Xinyi Gao, Zhen Liu, Ling Zhao, Zhenhao Xi, Weikang Yuan.  (2022)  Reaction mechanism study on transesterification in synthesis of thermotropic liquid crystalline polymer catalyzed by zinc(II) carboxylate: A combination of DFT and kinetics analyses.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136848]