(2-methylphenyl)diphenylphosphane

• ChemBase ID: 137718
• Molecular Formular: C19H17P
• Molecular Mass: 276.312041
• Monoisotopic Mass: 276.10678717
• SMILES: Cc1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
• InChIKey: MLBZLJCMHFCTQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylphenyl)diphenylphosphane
• IUPAC Traditional name: (2-methylphenyl)diphenylphosphane
• Synonyms: (2-Methylphenyl)diphenylphosphine; Diphenyl(o-tolyl)phosphine; o-Tolyldiphenylphosphine; 二苯基(邻-甲苯基)膦; 二苯基(o-甲苯基)膦

Database IDs

• CAS Number: 5931-53-3
• EC Number: 227-675-6
• MDL Number: MFCD00008515
• PubChem SID: 162231979; 24857301
• PubChem CID: 80040

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5738
• LogD (pH = 7.4): 5.5738
• Log P: 5.5738
• Molar Refractivity: 86.6641 cm^3
• Polarizability: 34.10973 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 67-70°C; 70-73 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2PC6H4CH3

DETAILS

Sigma Aldrich - 287938

Packaging
1 g in glass bottle
Application
Catalyst for:
• Three component [3+2] cycloadditions1
• Suzuki coupling2
• Stereoselective olefination3
• Coupling reactions4
• Hydroxycarbonylation5