Carbonyltris(triphenylphosphine)rhodium(I)hydride - ≥97% , CAS No.17185-29-4

CAS: 17185-29-4 Cat. No.: C117877 Molecular Weight: 918.78 EC Number: 241-230-3

GRADE & PURITY ≥97%

Synonyms

RhH(CO)(PPh3)3 | IETKMTGYQIVLRF-UHFFFAOYSA-N | carbonylhydridotris (triphenylphosphine)rhodium (I) | Carbonylhydridotris(Triphenylphosphine)Rhodium (I) | Carbonylhydridotris(triphenylphosphane)rhodium(I) inverted exclamation mark degrees RODRIDO inverted

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Overview

Tris(triphenylphosphine)rhodium(I) carbonyl hydride is a homogeneous catalyst which catalyzes the ring-opening isomerization of methylenecyclopropanes to 1,3-dienes.
A homogeneous catalyst,Hydrogenation, hydrosilation, isomerization, carbonylation, hydroformylation, oxidation

Specifications

Synonyms

RhH(CO)(PPh3)3 | IETKMTGYQIVLRF-UHFFFAOYSA-N | carbonylhydridotris (triphenylphosphine)rhodium (I) | Carbonylhydridotris(Triphenylphosphine)Rhodium (I) | Carbonylhydridotris(triphenylphosphane)rhodium(I) inverted exclamation mark degrees RODRIDO inverted

Specifications & Purity

≥97%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765764
• Canonical Smiles: [C-]#[O+].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.[Rh]
• IUPAC Name: carbon monoxide;rhodium;triphenylphosphane
• InChIKey: IETKMTGYQIVLRF-UHFFFAOYSA-N
• INCHI: 1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H
• Isomeric SMILES: [C-]#[O+].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.[Rh]
• WGK Germany: 1
• UN Number: 2811
• Molecular Weight: 918.78
• Reaxy-Rn: 45237842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45237842&ln=

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 Organic oxygen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic transition metal salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organic cation - 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 hydrocarbons (e.g. benzene and toluene) with dissociation of phosphine ligands
• Sensitivity: Air sensitive;Moisture sensitive
• Melt Point(°C): 150°C
• Molecular Weight: 917.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 917.174 Da
• Monoisotopic Mass: 917.174 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 212.000
• 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