Bis(triphenylphosphine)palladium(II) chloride
Basic information
- CAS
13965-03-2- Standard SMILES
[Cl-].[Cl-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1- InChIKey
YNHIGQDRGKUECZ-UHFFFAOYSA-L- Molecular formula
- C36H30Cl2P2Pd
- Average molar mass
- 701.9 g/mol
- Monoisotopic mass
- 700.02346
Overview
See also: Dichlorobis(triphenylphosphine)palladium (preferred); Bis(triphenylphosphine)platinum chloride (annotation moved to).
Names & identifiers
- Preferred name
- Bis(triphenylphosphine)palladium(II) chloride
- IUPAC
- palladium(2+);bis(triphenylphosphane);dichloride
- English name
- Bis(triphenylphosphine)palladium(II) chloride
- Molecular formula
- C36H30Cl2P2Pd
- Molecular weight
- 701.9
Names & synonyms
Bis(triphenylphosphine)palladium(II) dichloridebis(triphenylphosphine)palladium(ii) chloride28966-81-6Bis(triphenylphosphine)palladium chloridebis(triphenylphosphine)palladium(ii)chlorideMFCD00009593bis(triphenylphosphine) palladiuml(ii) dichloride(SP-4-1)-Bis(triphenylphosphine)palladium(II) dichlorideBis(triphenylphosphine)dichloropalladiumNSC-122924C36H30Cl2P2PdBis(Triphenylphosphine)palladium (II) chloride
Show more names
Pd(PPh3)2Cl2PdCl2(PPh3)2Pd(PPh3)Cl2DICHLOROBIS(TRIPHENYLPHOSPHINE)PALLADIUM(PPh3)2PdCl2DICHLOROBIS(TRIPHENYLPHOSPHINE)PALLADIUM(II)Bis(triphenylphosphine)palladium(ll) chloride
PPNClSCHEMBL39326RF69VJ3PXAKOS015909080FB16379SY001028palladium(2+) triphenylphosphane dichlorideBIS(TRIPHENYLPHOSPHINE)IMINIUM MONOCHLORIDE
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 260 °C · 260°C
- vapor pressure
- 0 Pa · 0Pa at 25℃
- RTECS
- 3578000 · RT3578000
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly, Heated), Methanol (Slightly,
- form
- Powder
- color
- Yellow
- Water Solubility
- Insoluble in water. Soluble in benzene, and toluene.
- Sensitive
- Hygroscopic
- BRN
- 4935975 · 4935975
- InChI
- InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
- InChIKey
- ILBDOZRDKNIJBS-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Pd](Cl)Cl
- LogP
- 5.69 at · 5.69 at 20℃
- CAS DataBase Reference
- 13965 · 13965-03-2(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- No
- hs_code
- 28439090
- risk_code
- 36/37/38-22-40-19
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H413
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 4Skin Sens. 1A
- Precautionary statements
- P261-P272-P273-P280-P302+P352-P333+P313
Chemistry & industry
Applications
UsesBis(triphenylphosphine)palladium(II) chloride is used primarily in organometallic catalytic reactions due to the palladium content of the compound. It is also involved in crystalized structures of me tallacyclic complexes which show antiinflammatory and antifungal properties.
General DescriptionBis(triphenylphosphine)palladium(II) dichloride is an organometallic complex. It is an efficient cross-coupling catalyst for C-C coupling reaction, such as Negishi coupling, Suzuki coupling, Sonogashira coupling and Heck coupling reaction. Detection of bis(triphenylphosphine)palladium(II) dichloride by electrospray ionization quadrupole ion trap mass spectrometry using different imidazolium salts as the charge carrier has been reported. It is employed as catalyst for the Heck reaction medium.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
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