tris(2,4-dimethylphenyl)phosphane

• ChemBase ID: 142818
• Molecular Formular: C24H27P
• Molecular Mass: 346.444941
• Monoisotopic Mass: 346.18503749
• SMILES: Cc1ccc(c(c1)C)P(c1ccc(cc1C)C)c1ccc(cc1C)C
• Canonical SMILES: Cc1ccc(c(c1)C)P(c1ccc(cc1C)C)c1ccc(cc1C)C
• InChI: InChI=1S/C24H27P/c1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
• InChIKey: XDHRVAHAGMMFMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2,4-dimethylphenyl)phosphane
• IUPAC Traditional name: tris(2,4-dimethylphenyl)phosphane
• Synonyms: Tri-2,4-xylylphosphine; Tris(2,4-dimethylphenyl)phosphine; 三(2,4-二甲苯基)膦

Database IDs

• CAS Number: 49676-42-8
• MDL Number: MFCD09039068
• PubChem SID: 162237044
• PubChem CID: 11759772

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.9098
• LogD (pH = 7.4): 7.9098
• Log P: 7.9098
• Molar Refractivity: 111.8701 cm^3
• Polarizability: 42.934025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 158-162 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H27P

DETAILS

Sigma Aldrich - 710547

Packaging
1 g in glass bottle
Application
Reactant for sulfonylation reactions1Catalyst for epoxy resin curing2Ligand precatalyst for Heck coupling3