(4-ethenylphenyl)diphenylphosphane

• ChemBase ID: 143168
• Molecular Formular: C20H17P
• Molecular Mass: 288.322741
• Monoisotopic Mass: 288.10678717
• SMILES: C=Cc1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: C=Cc1ccc(cc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H17P/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16H,1H2
• InChIKey: FRPLKHQCXVNBNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethenylphenyl)diphenylphosphane
• IUPAC Traditional name: (4-ethenylphenyl)diphenylphosphane
• Synonyms: 4-(Diphenylphosphino)styrene; Diphenyl(4-vinylphenyl)phosphine; 二苯基对苯乙烯基膦

Database IDs

• CAS Number: 40538-11-2
• MDL Number: MFCD04038139
• PubChem SID: 162237389
• PubChem CID: 11437688

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0031
• LogD (pH = 7.4): 6.0031
• Log P: 6.0031
• Molar Refractivity: 91.3092 cm^3
• Polarizability: 35.886776 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: white to off-white
• Melting Point: 75-80 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H413
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C20H17P

DETAILS

Sigma Aldrich - 708127

Packaging
1, 5, 25 g in glass bottle