Tris(triphenylphosphine)rhodium(I) Chloride (NSC 124140) - ≥99.95% metals basis , CAS No.14694-95-2

CAS: 14694-95-2 Cat. No.: W347495 Molecular Weight: 925.22 Beilstein Registry Number: 4581440 EC Number: 238-744-5 PubChem CID: 84599

GRADE & PURITY ≥99.95% metals basis

Synonyms

TRIS(TRIPHENYLPHOSPHINE)RHODIUM(1) CHLORIDE | T0931 | NSC199379 | Chlorotris(triphenylphosphine)rhodium(I) | chlorotris(triphenylphosphine)-rhodium(i) | Tris(triphenylphosphine)rhodium(I) chloride | tris-(triphenylphosphine)rhodium(i) chloride | tris(trip

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Product class
M-P, Homogeneous Catalysts, Phosphorus Ligands - Achiral

Reaction type
Cross Coupling Reactions with Arenes, Allylic Alkylation, C-H Activation, Carbonylation, Mizoroki Heck Coupling Reaction, Decarbonylation, Hydroformylation, Isomerization, Oligomerization, Oxidation

Chemical properties

Chemical formula

C54H45ClP3Rh

Empirical formula

Rh(PPh3)3Cl

Molecular weight

925.23

Metal

Rh

Theoretical metal content

11

Physical state

crystalline

Color
Metal purity

red

99.95

Specifications

Synonyms

TRIS(TRIPHENYLPHOSPHINE)RHODIUM(1) CHLORIDE | T0931 | NSC199379 | Chlorotris(triphenylphosphine)rhodium(I) | chlorotris(triphenylphosphine)-rhodium(i) | Tris(triphenylphosphine)rhodium(I) chloride | tris-(triphenylphosphine)rhodium(i) chloride | tris(trip

Specifications & Purity

≥99.95% metals basis

Storage

Store at 2-8°C, Protected from light, 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

• Pubchem Sid: 504755767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755767
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
• IUPAC Name: rhodium;triphenylphosphane;chloride
• InChIKey: QBERHIJABFXGRZ-UHFFFAOYSA-M
• INCHI: 1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
• WGK Germany: 3
• PubChem CID: 84599
• UN Number: 1759
• Molecular Weight: 925.22
• Beilstein: 4581440
• Reaxy-Rn: 14664394

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organic anion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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 most solvents (e.g. benzene, ethanol, chloroform, dichloromethane) but with phosphine dissociation. Reacts with O{2} in solution.
• Sensitivity: Light, Air and Heat sensitive
• Melt Point(°C): 245-250°C
• Molecular Weight: 925.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 924.148 Da
• Monoisotopic Mass: 924.148 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 59
• Formal Charge: -1
• Complexity: 202.000
• 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: 5

XLogP3

References

1. Dou Chen, Gaoming Mo, Junmin Qian, Liu He, Qing Huang, Zhengren Huang.  (2020)  Synthesis of cyano-polycarbosilane and investigation of its pyrolysis process.  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,      [PMID:] [10.1016/j.jeurceramsoc.2020.06.039]