(2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane

• ChemBase ID: 151924
• Molecular Formular: C42H42P4
• Molecular Mass: 670.677924
• Monoisotopic Mass: 670.22369786
• SMILES: c1ccc(cc1)P(CCP(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2
• InChIKey: TVLNGWSWPKIYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane
• IUPAC Traditional name: (2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane
• Synonyms: Tetraphos-Li; Tris[2-(diphenylphosphino)ethyl]phosphine; 三[2-(二苯基磷)乙基]磷

Database IDs

• CAS Number: 23582-03-8
• EC Number: 245-754-3
• MDL Number: MFCD00010009
• PubChem SID: 24859679; 162246070
• PubChem CID: 98777

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.8992195
• LogD (pH = 7.4): 9.90077
• Log P: 10.256
• Molar Refractivity: 207.0627 cm^3
• Polarizability: 80.3962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 134-135 °C(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
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: [(C6H5)2PCH2CH2]3P

DETAILS

Sigma Aldrich - 327697

Packaging
1 g in glass bottle