1,4-diethenylbenzene; benzaldehyde; ethenylbenzene

• ChemBase ID: 147532
• Molecular Formular: C25H24O
• Molecular Mass: 340.45746
• Monoisotopic Mass: 340.18271539
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1ccc(cc1)C=O
• Canonical SMILES: C=Cc1ccccc1.O=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H10.C8H8.C7H6O/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-8H,1-2H2;2-7H,1H2;1-6H
• InChIKey: IJHFOAFDGDPECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; benzaldehyde; ethenylbenzene
• IUPAC Traditional name: benzaldehyde; divinylbenzene; styrene
• Synonyms: Polystyrene-CHO resin; Formylpolystyrene; 聚苯乙烯-CHO 树脂; 甲酰聚苯乙烯

Database IDs

• MDL Number: MFCD00283277
• PubChem SID: 162241720; 24877887; 24877886
• PubChem CID: 16216951

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: 0.7-1.5 mmol/g loading; 2.0-3.0 mmol/g loading
• Crosslinking: 1 % cross-linked; 2 % cross-linked

DETAILS

Sigma Aldrich - 532401

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 532428

Packaging
1, 25 g in glass bottle