1,4-diethenylbenzene; 1-phenylethan-1-one; ethenylbenzene

• ChemBase ID: 148778
• Molecular Formular: C26H26O
• Molecular Mass: 354.48404
• Monoisotopic Mass: 354.19836545
• SMILES: CC(=O)c1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• Canonical SMILES: CC(=O)c1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H10.C8H8O.C8H8/c1-3-9-5-7-10(4-2)8-6-9;1-7(9)8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h3-8H,1-2H2;2-6H,1H3;2-7H,1H2
• InChIKey: NGJAOJKKMPTEQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; 1-phenylethan-1-one; ethenylbenzene
• IUPAC Traditional name: acetophenone; divinylbenzene; styrene
• Synonyms: Acetophenone, polymer-bound; Acetylpolystyrene resin; 苯乙酮，聚合物键合; 乙酰基聚苯乙烯树脂

Database IDs

• MDL Number: MFCD01092099
• PubChem SID: 162242953; 24874688
• PubChem CID: 16213854

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.44665
• LogD (pH = 7.4): 3.44665
• Log P: 3.44665
• Molar Refractivity: 45.4306 cm^3
• Polarizability: 17.497032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 100-200 mesh
• Extent of Labeling: 1.0-1.5 mmol/g loading
• Crosslinking: 1 % cross-linked

DETAILS

Sigma Aldrich - 549398

Application
Resin can be used to scavenge nucleophiles.
Packaging
5, 25 g in glass bottle