chempirical

Bis(triphenylphosphine)rhodium carbonyl chloride

C37H30ClOP2RhCAS 13938-94-8690.95 g/mol

Open in Covalent MOL file
C−O+Cl−Rh+PP
Phosphine

Properties

Molecular formula
C37H30ClOP2Rh
Molar mass
690.95 g/mol
Exact mass
690.0515 Da
Melting point
198–205 °C
logP
3.85Crippen estimate
Polar surface area
19.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
13938-94-8
SMILES
[C-]#[O+].[Cl-].[Rh+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
SGULOPRLUCGLSH-UHFFFAOYSA-M
InChI
InChI=1S/2C18H15P.CO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;;;+1/p-1

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Names and synonyms

14 names · show all
  • Rhodium, carbonylchlorobis(triphenylphosphine)-
  • Rhodium, chlorocarbonylbis(triphenylphosphine)-
  • Carbonylchlorobis(triphenylphosphine)rhodium
  • Bis(triphenylphosphine)rhodiumcarbonyl chloride
  • Chlorocarbonylbis(triphenylphosphine)rhodium
  • Chlorocarbonylbis(triphenylphosphine)rhodium(I)
  • Bis(triphenylphosphine)carbonylchlororhodium(I)
  • Carbonylbis(triphenylphosphine)rhodium chloride
  • Bis(triphenylphosphine)carbonylchlororhodium
  • Rhodium carbonyl bis(triphenylphosphine) chloride
  • Bis(triphenylphosphine)carbonylrhodium(I) chloride
  • Bis(triphenylphosphine)carbonylrhodium chloride
  • NSC 168792
  • Carbonylbis(triphenylphosphine)rhodium(I) chloride

Work with Bis(triphenylphosphine)rhodium carbonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dicarbonyldichlorobis(triphenylphosphine)ruthenium14564-35-381 % similar Vaska's complex14871-41-178 % similar Carbonylchlorohydrotris(triphenylphosphine)ruthenium16971-33-878 % similar Wilkinson's catalyst14694-95-275 % similar Tris(triphenylphosphine)rhodium carbonyl hydride17185-29-467 % similar Bis(triphenylphosphine)palladium chloride13965-03-262 % similar Chloro(triphenylphosphine)gold(I)14243-64-262 % similar (SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium25470-96-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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