Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-
Basic information
- CAS
25470-96-6- Standard SMILES
CC(=O)/C=C(/C)[O-].[C-]#[O+].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1- InChIKey
RHKGZYVYKXVQSD-MECAPONASA-M- Molecular formula
- C24H22O3PRh-
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 492.03615
Names & identifiers
- Preferred name
- Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-
- IUPAC
- carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane
- English name
- Rhodium (triphenylphosphine)carbonylacetylacetonate
- Molecular formula
- C24H23O3PRh
- Molecular weight
- 493.32
Names & synonyms
Rhodium, (triphenylphosphine)carbonylacetylacetonateCarbonyl(pentane-2,4-dionato-O,O')(triphenylphosphine)rhodiumDTXSID701014849EINECS 247-015-0Rhodium, carbonyl(2,4-pentanedionato-kappaO,kappaO')(triphenylphosphine)-, (SP-4-2)-Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-RefChem:883034DTXCID701473174Rhodium, carbonyl(2,4-pentanedionato-.kappa.O2,.kappa.O4)(triphenylphosphine)-, (SP-4-2)-247-015-025470-96-6SCHEMBL31678574
Show more names
ROPACAcetylacetonatocarboRh(C5H7O2)(CO)(PPh3)(Z)-4-oxo-2-penten-2-olateRh(C5H7O2)(CO)P(C6H5)3 - ROPACTriphenylphosphine carbonyl acetylacetone rhodiumTris(triphenylphosphine)rhodium(I)acetylacetonaterhodium (triphenylphosphine)carbonylacetylacetonateTriphenylphosphine acetylacetone carbonyl hydrazineACETYLACETONATOCARBONYLTRIPHENYLPHOSPHINERHODIUM (L)
RHKGZYVYKXVQSD-MECAPONASA-Mcarbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphaneAKOS015901510Acetylacetonatocarbonyltriphenylphosphine rhodium (I)Rhodium, carbonyl(2,4-pentanedionato-.kappa.O,.kappa.O')(triphenylphosphine)-, (SP-4-2)-
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- -1
- Complexity
- 302
Physicochemical properties
- Melting point
- 200 · 200-204°C
- Density
- 1.5 · 1.5[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- solubility
- Soluble in acetone and chlorinated solvents
- form
- solid
- color
- yellow
- Water Solubility
- 24 μg/L · 24μg/L at 20℃
- Merck
- 14 · 14,356
- Exposure limits
- 0.01 mg/m3; · ACGIH: TWA 0.01 mg/m3; TWA 1 mg/m3NIOSH: IDLH 2 mg/m3; IDLH 100 mg/m3; TWA 0.001 mg/m3; TWA 0.1 mg/m3
- InChI
- InChI=1S/C18H15P.C5H7O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3H,1-2H3;;/q;-1;;/p+1
- InChIKey
- ZETXURAVPSJSPU-UHFFFAOYSA-O
- SMILES
- P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)[Rh+]1(O=C(C)[CH-]C(C)=O1)C#O
- EPA Substance Registry System
- Rhodium, carbonyl(2,4-pentanedionato-.kappa.O,.kappa.O')(triphenylphosphine)-, (SP-4-2)- (25470-96-6)
- UNSPSC Code
- 12352005 · 12352005
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (95.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 134 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Carbonyl(pentane-2,4-dionato-O,O')(triphenylphosphine)rhodium (EC: 247-015-0)
Hazard Classes and CategoriesAquatic Chronic 2 (95.5%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 28439000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H319-H413
- REACH Registrations
- Active
- Precautionary statements
- P301+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationRhodium, carbonyl(2,4-pentanedionato-.kappa.O2,.kappa.O4)(triphenylphosphine)-, (SP-4-2)-: ACTIVE
Applications
UsesHydroformylation
Suppliers
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Related reactions
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Compound notes
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