bis(tri-tert-butylphosphaniumyl)cyclodipalladabromane-1,3-bis(ylium)-2,2,4,4-tetrauide

• ChemBase ID: 303786
• Molecular Formular: C24H54Br2P2Pd2
• Molecular Mass: 777.281082
• Monoisotopic Mass: 774.01372099
• SMILES: CC(C)(C)[P+](C(C)(C)C)(C(C)(C)C)[Pd-2]1[Br+][Pd-2]([Br+]1)[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC([P+](C(C)(C)C)(C(C)(C)C)[Pd-2]1[Br+][Pd-2]([Br+]1)[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)C
• InChI: InChI=1S/2C12H27P.2Br.2Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;;;;/h2*1-9H3;;;;/q;;2*+1;2*-1
• InChIKey: YEQUWGAZFFWHSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tri-tert-butylphosphaniumyl)cyclodipalladabromane-1,3-bis(ylium)-2,2,4,4-tetrauide
• IUPAC Traditional name: bis(tri-tert-butylphosphaniumyl)cyclodipalladabromane-1,3-bis(ylium)-2,2,4,4-tetrauide
• Synonyms: Palladium(I) tri-tert-butylphosphine bromide dimer; Di-?-bromobis(tri-tert-butylphosphine)dipalladium(I); 二溴双(三叔丁基膦)二钯(I)

Database IDs

• CAS Number: 185812-86-6
• MDL Number: MFCD04114019

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1458
• LogD (pH = 7.4): 3.1458
• Log P: 3.1458
• Molar Refractivity: 145.5454 cm^3
• Polarizability: 66.597206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in benzene and toluene
• Apperance: Powder

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A