bis([(diphenylphosphanyl)methyl]diphenylphosphane); bis(chloropalladium); dichloromethane

• ChemBase ID: 138297
• Molecular Formular: C51H46Cl4P4Pd2
• Molecular Mass: 1137.457984
• Monoisotopic Mass: 1133.93738071
• SMILES: c1ccc(cc1)P(CP(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)P(CP(c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.Cl[Pd].Cl[Pd]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1.ClCCl.[Pd]Cl.[Pd]Cl
• InChI: InChI=1S/2C25H22P2.CH2Cl2.2ClH.2Pd/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1-3;;;;/h2*1-20H,21H2;1H2;2*1H;;/q;;;;;2*+1/p-2
• InChIKey: OSEYERLNPSEDKI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis([(diphenylphosphanyl)methyl]diphenylphosphane); bis(chloropalladium); dichloromethane
• IUPAC Traditional name: bis([(diphenylphosphanyl)methyl]diphenylphosphane); methylene chloride; bis(palladium chloride)
• Synonyms: Dichlorobis[methylenebis(diphenylphosphine)]dipalladium-dichloromethane adduct; 二氯双[亚甲基双(二苯基膦)]二钯-二氯甲烷加合物

Database IDs

• CAS Number: 123334-24-7
• MDL Number: MFCD00075106

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2909
• LogD (pH = 7.4): 7.2909
• Log P: 7.2909
• Molar Refractivity: 116.6195 cm^3
• Polarizability: 46.516495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 247 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38-43
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H317-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Empirical Formula (Hill Notation): C51H46Cl4P4Pd2