Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate - ≥99.95% metals basis , CAS No.35138-22-8

CAS: 35138-22-8 Cat. No.: B321964 Molecular Weight: 406.07 EC Number: 609-074-4 PubChem CID: 5702662

GRADE & PURITY ≥99.95% metals basis

Synonyms

Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate|35138-22-8|[rh(cod)2]bf4|Bis(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate|MFCD00075045|LYXHWHHENVLYCN-QMDOQEJBSA-N|(1Z,5Z)-cycloocta-1,5-diene; rhodium; tetrafluoroborate|(1Z,5Z)-cycloocta-1,5-diene;rh

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate is a rhodium complex employed for preparing cationic COD-Rh complexes with phosphine ligands, e.g. for enantioselective hydrogenation (1), (2), (3) and hydrosilylation. (4)
Rhodium complex employed for preparing cationic COD-Rh complexes with phosphine ligands, e.g. for enantioselective hydrogenation; Hydrosilylation

Product class
M-C, Homogeneous Catalysts, Diene/Dienyl Ligands

Reaction type
Hydrogenation, Asymmetric Reactions, C-H Activation, Hydroformylation, Asymmetric Hydrogenation, Hydrosilylation, Isomerization

Chemical properties

Chemical formula

C16H24BF4Rh

Empirical formula

[Rh(cod)2]BF4

Molecular weight

406.07

Metal

Rh

Theoretical metal content

25

Physical state

powder

Color
Metal purity

brownish red

99.95

Specifications

Synonyms

Bis(1, 5-cyclooctadiene)rhodium(I) tetrafluoroborate | 35138-22-8 | [rh(cod)2]bf4 | Bis(1, 5-cyclooctadiene)rhodium(I)tetrafluoroborate | MFCD00075045 | LYXHWHHENVLYCN-QMDOQEJBSA-N | (1Z, 5Z)-cycloocta-1, 5-diene; rhodium; tetrafluoroborate | (1Z, 5Z)-cycloocta-1, 5-diene;rh

Specifications & Purity

≥99.95% metals basis

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

≥99.95% metals basis

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Rh]
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
• InChIKey: LYXHWHHENVLYCN-QMDOQEJBSA-N
• INCHI: 1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-
• Isomeric SMILES: [B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Rh]
• WGK Germany: 2
• PubChem CID: 5702662
• UN Number: 2921
• Packing Group: II
• Molecular Weight: 406.07
• Reaxy-Rn: 14342367

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Organic transition metal salts Organic metalloid salts Unsaturated aliphatic hydrocarbons Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Organic metalloid salt - Organic transition metal salt - Cycloalkene - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Organic anion - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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: Insoluble in water
• Sensitivity: Air, heat and moisture sensitive
• Melt Point(°C): 210°C
• Molecular Weight: 406.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 406.096 Da
• Monoisotopic Mass: 406.096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: -1
• Complexity: 91.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 4

XLogP3