(4-methylphenyl)diphenylphosphane

• ChemBase ID: 83014
• Molecular Formular: C19H17P
• Molecular Mass: 276.312041
• Monoisotopic Mass: 276.10678717
• SMILES: P(c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
• InChIKey: QJIMTLTYXBDJFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)diphenylphosphane
• IUPAC Traditional name: (4-methylphenyl)diphenylphosphane
• Synonyms: (4-Methylphenyl)diphenyl phosphine; Diphenyl(p-tolyl)phosphine; (4-methylphenyl)(diphenyl)phosphine; DIPHENYL-4-METHYLPHENYLPHOSPHINE; p-Tolyldiphenylphosphine; Diphenyl(p-tolyl)phosphine; 二苯基甲苯基磷; 二苯基对甲苯基膦

Database IDs

• CAS Number: 1031-93-2
• EC Number: 213-848-3
• MDL Number: MFCD00008543
• Beilstein Number: 646709
• PubChem SID: 24849330; 162070133
• PubChem CID: 70575

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: 34.109203 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 64-68°C; 64-68°C; 66-68 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 96%
• Linear Formula: (C6H5)2PC6H4CH3

DETAILS

MP Biomedicals - 05203983

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 155039

Packaging
10 g in glass bottle
Application
Reactant for:
• Three-component cyclization1
• Probing coordination ability via a palladium pincer complex2
• Chelation-assisted hydroacylation of olefins with primary alcohols3Reactant for synthesis of:
• Trinuclear ruthenium carbonyl triarylphosphine cluster complexes4
• Leishmanicidal leads targeting mitochondria through inhibition of the respiratory complex5
• InP nanofibers / metal phosphide nanostructures6
• Peroxyl radical cations via pulse radiolysis one-electron oxidations7