Rhodium(II) trifluoroacetate dimer - Rh:27.5-35.0% , CAS No.31126-95-1

CAS: 31126-95-1 Cat. No.: R118543 Molecular Weight: 657.87 EC Number: 631-136-4 PubChem CID: 10985187

GRADE & PURITY Rh:27.5-35.0%

Synonyms

rhodium;2,2,2-trifluoroacetic acid | SC10373 | AC-24212 | RHODIUM(II) TRIFLUOROACETATE DIMER;TRIFLUOROACETIC ACID RHODIUM(II) SALT DIMER;Rhodium(II) trifluoroacetate dimer, ?Rh2(CF3COO)4 | MFCD00209611 | bis(2,2,2-trifluoroacetoxy)rhodium | dirhodium(ii)

Storage

Room temperature

Shipped In

Normal

Overview

It is used to prepare isomer pure α,β-unsaturated carbonyl compounds and structural units of one, two and three-dimensional molecular solids.

Specifications

Synonyms

rhodium;2, 2, 2-trifluoroacetic acid | SC10373 | AC-24212 | RHODIUM(II) TRIFLUOROACETATE DIMER;TRIFLUOROACETIC ACID RHODIUM(II) SALT DIMER;Rhodium(II) trifluoroacetate dimer, ?Rh2(CF3COO)4 | MFCD00209611 | bis(2, 2, 2-trifluoroacetoxy)rhodium | dirhodium(ii)

Specifications & Purity

Rh:27.5-35.0%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504765835
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765835
• Canonical Smiles: C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Rh].[Rh]
• IUPAC Name: rhodium;2,2,2-trifluoroacetic acid
• InChIKey: SZQVMUPTZFMHQT-UHFFFAOYSA-N
• INCHI: 1S/4C2HF3O2.2Rh/c4*3-2(4,5)1(6)7;;/h4*(H,6,7)
• Isomeric SMILES: C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Rh].[Rh]
• WGK Germany: 3
• PubChem CID: 10985187
• Molecular Weight: 657.87

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: Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Alpha-halocarboxylic acid - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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: 661.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 0
• Exact Mass: 661.782 Da
• Monoisotopic Mass: 661.782 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 196.000
• 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: 6

XLogP3

References

1. Xiaoyang Liang, Yanhui Ji, Yue Zhou, Siyu Wang, Long Binh Vong, Nan Li.  (2022)  A “pursuit and interception” strategy of amplified autophagy inhibition for tumor therapy based on ultra-small Rh nanoparticles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136379]

2. Qiuyang Zhang, Caiyun Xu, Hongfeng Yin, Shenghu Zhou.  (2019)  Enhanced Catalytic Hydrogenation Performance of Rh-Co2O3 Heteroaggregate Nanostructures by in Situ Transformation of Rh@Co Core–Shell Nanoparticles.  ACS Omega,      [PMID:31858069] [10.1021/acsomega.9b03340]

3. Caiyun Xu, Qi Li, Qiuyang Zhang, Kaijie Li, Hongfeng Yin, Shenghu Zhou.  (2019)  Structural Identification and Enhanced Catalytic Performance of Alumina-Supported Well-Defined Rh-SnO2 Close-Contact Heteroaggragate Nanostructures.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.9b01000]