[5-(diphenylphosphanyl)pentyl]diphenylphosphane

• ChemBase ID: 147407
• Molecular Formular: C29H30P2
• Molecular Mass: 440.496022
• Monoisotopic Mass: 440.18227422
• SMILES: c1ccc(cc1)P(CCCCCP(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: C(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2
• InChIKey: MZFPAWGWFDGCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(diphenylphosphanyl)pentyl]diphenylphosphane
• IUPAC Traditional name: [5-(diphenylphosphanyl)pentyl]diphenylphosphane
• Synonyms: 1,5-pentanediylbis[diphenylphosphine]; DPPENT; Pentamethylenebis[diphenylphosphine]; dpppe; 1,5-Bis(diphenylphosphino)pentane; 1,5-Bis(diphenylphosphino)pentane; 1,5-双(二苯基膦)戊烷; 1,5-双(联苯基膦)戊烷

Database IDs

• CAS Number: 27721-02-4
• MDL Number: MFCD00003052
• Beilstein Number: 2953640
• PubChem SID: 162241595; 24857305
• PubChem CID: 2733414

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.0017
• LogD (pH = 7.4): 8.0017
• Log P: 8.0017
• Molar Refractivity: 135.6358 cm^3
• Polarizability: 53.905785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 43-47 °C; 43-47 °C(lit.); 46-48°C
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (31P-NMR); 97%
• Grade: technical
• Linear Formula: (C6H5)2P(CH2)5P(C6H5)2

DETAILS

Sigma Aldrich - 287997

Packaging
1, 5 g in glass bottle