bis(dicyclohexyl[2-(2,6-dimethoxyphenyl)phenyl]phosphane) (acetyloxy)palladio acetate

• ChemBase ID: 140880
• Molecular Formular: C56H76O8P2Pd
• Molecular Mass: 1045.565362
• Monoisotopic Mass: 1044.40502865
• SMILES: CC(=O)O[Pd]OC(=O)C.COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC.COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC
• Canonical SMILES: CC(=O)O[Pd]OC(=O)C.COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC.COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC
• InChI: InChI=1S/2C26H35O2P.2C2H4O2.Pd/c2*1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;2*1-2(3)4;/h2*9-11,16-21H,3-8,12-15H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: MHDRUZGMPXBVQJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dicyclohexyl[2-(2,6-dimethoxyphenyl)phenyl]phosphane) (acetyloxy)palladio acetate
• IUPAC Traditional name: bis(sphos) (acetyloxy)palladio acetate
• Synonyms: ChemDose™, Palladium(II) acetate-S-Phos(Pd:P 1:2) impregnated tablets; ChemDose™, Pd(OAc)2-S-Phos(Pd:P 1:2) impregnated tablets; Palladium(II) acetate-S-Phos(Pd:P 1:2), ChemDose™ tablets; ChemDose™，Pd(OAc)2-S-Phos(Pd:P 1:2) 浸渍片剂; ChemDose™，乙酸钯(II)-S-Phos(Pd:P 1:2) 浸渍片剂; 乙酸钯(II)-S-Phos(Pd:P 1:2)，ChemDose™ 片剂

Database IDs

• MDL Number: MFCD11045400
• PubChem SID: 162235118
• PubChem CID: 71310542

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.0310125
• LogD (pH = 7.4): 6.242745
• Log P: 6.3074
• Molar Refractivity: 122.0603 cm^3
• Polarizability: 49.74943 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36-40
• Safety Statements: 26-36/37
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H351
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Matrix: Magnesium aluminometasilicate base material

DETAILS

Sigma Aldrich - 694088

Packaging
10, 100 tablets in glass bottle
Legal Information
ChemDose is a trademark of Reaxa Ltd.