phenyl[3-(phenylphosphanyl)propyl]phosphane

• ChemBase ID: 303174
• Molecular Formular: C15H18P2
• Molecular Mass: 260.250942
• Monoisotopic Mass: 260.08837384
• SMILES: c1ccc(cc1)PCCCPc1ccccc1
• Canonical SMILES: C(CPc1ccccc1)CPc1ccccc1
• InChI: InChI=1S/C15H18P2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
• InChIKey: AVNRJUHUOZDFKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl[3-(phenylphosphanyl)propyl]phosphane
• IUPAC Traditional name: phenyl[3-(phenylphosphanyl)propyl]phosphane
• Synonyms: 1,3-Bis(phenylphosphino)propane; 1,3-二(苯基膦)丙烷

Database IDs

• CAS Number: 28240-66-6
• MDL Number: MFCD00014079

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2977
• LogD (pH = 7.4): 3.2977
• Log P: 3.2977
• Molar Refractivity: 77.0416 cm^3
• Polarizability: 30.94028 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid, Ampouled under argon
• Boiling Point: 160-165°C/1mm

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A