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

• ChemBase ID: 146369
• Molecular Formular: C34H33P3
• Molecular Mass: 534.547103
• Monoisotopic Mass: 534.17951095
• SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2
• InChIKey: AXVOAMVQOCBPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[2-(diphenylphosphanyl)ethyl](phenyl)phosphanyl}ethyl)diphenylphosphane
• IUPAC Traditional name: triphos
• Synonyms: Phenylbis(diphenylphosphinoethyl)phosphine; Triphos; Bis(2-diphenylphosphinoethyl)phenylphosphine; 三膦; 双(2-二苯基膦乙基)苯基膦

Database IDs

• CAS Number: 23582-02-7
• EC Number: 245-753-8
• MDL Number: MFCD00003048
• PubChem SID: 162240567; 24855686
• PubChem CID: 90192

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.217303
• LogD (pH = 7.4): 8.473519
• Log P: 8.519
• Molar Refractivity: 162.0427 cm^3
• Polarizability: 64.38294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-132 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 22-26-28-36/37/39
• 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
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: C6H5P[CH2CH2P(C6H5)2]2

DETAILS

Sigma Aldrich - 259101

Packaging
1, 5 g in glass bottle