1-(diphenylmethyl)-4-ethenylbenzene

• ChemBase ID: 143530
• Molecular Formular: C21H18
• Molecular Mass: 270.36762
• Monoisotopic Mass: 270.14085058
• SMILES: C=Cc1ccc(cc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: C=Cc1ccc(cc1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H18/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16,21H,1H2
• InChIKey: ZBOGEEDESQCKBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-ethenylbenzene
• IUPAC Traditional name: 1-(diphenylmethyl)-4-ethenylbenzene
• Synonyms: 1-(Diphenylmethyl)-4-vinylbenzene; 4-Vinyltriphenylmethane; 4-Benzhydrylstyrene; 1-（二苯甲基)-4 -乙烯基苯; 4-乙烯基三苯甲烷; 4-二苯甲基苯乙烯

Database IDs

• CAS Number: 47128-23-4
• MDL Number: MFCD17677171
• PubChem SID: 162237748
• PubChem CID: 21252635

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.222565
• LogD (pH = 7.4): 6.222565
• Log P: 6.222565
• Molar Refractivity: 90.1251 cm^3
• Polarizability: 34.99718 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 45-50 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C21H18

DETAILS

Sigma Aldrich - 725595

Application
Monomer for the generation of stabilized radical species appended to a polymer backbone.
Packaging
1 g in glass bottle