1,4-diethenylbenzene; ethenylbenzene; iodobenzene

• ChemBase ID: 151696
• Molecular Formular: C24H23I
• Molecular Mass: 438.34389
• Monoisotopic Mass: 438.08444874
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1ccc(cc1)I
• Canonical SMILES: Ic1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H10.C8H8.C6H5I/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h3-8H,1-2H2;2-7H,1H2;1-5H
• InChIKey: YCGZYUFXRPSAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; ethenylbenzene; iodobenzene
• IUPAC Traditional name: divinylbenzene; iodophenyl; styrene
• Synonyms: poly(iodostyrene); Iodopolystyrene; 聚(碘苯乙烯); 碘代聚苯乙烯

Database IDs

• MDL Number: MFCD00803371
• PubChem SID: 162245846; 24880593
• PubChem CID: 16217250

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: 3
• 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

• Crosslinking: 1 % cross-linked with divinylbenzene

DETAILS

Sigma Aldrich - 570796

Packaging
5, 25 g in glass bottle