[6-(diphenylphosphanyl)hexyl]diphenylphosphane

• ChemBase ID: 147140
• Molecular Formular: C30H32P2
• Molecular Mass: 454.522602
• Monoisotopic Mass: 454.19792428
• SMILES: c1ccc(cc1)P(CCCCCCP(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: C(CCP(c1ccccc1)c1ccccc1)CCCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
• InChIKey: GPORFKPYXATYNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(diphenylphosphanyl)hexyl]diphenylphosphane
• IUPAC Traditional name: [6-(diphenylphosphanyl)hexyl]diphenylphosphane
• Synonyms: 1,6-Hexanediylbis[diphenylphosphine; Hexamethylenebis[diphenylphosphine]; 1,6-Bis(diphenylphosphino)hexane; 1,6-双(二苯基膦)己烷

Database IDs

• CAS Number: 19845-69-3
• MDL Number: MFCD00003053
• PubChem SID: 24857304; 162241331
• PubChem CID: 2754312

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.398
• LogD (pH = 7.4): 8.398
• Log P: 8.398
• Molar Refractivity: 140.2368 cm^3
• Polarizability: 55.752823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 124-126 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2P(CH2)6P(C6H5)2

DETAILS

Sigma Aldrich - 287989

Packaging
5 g in glass bottle