1,4-diethenylbenzene; 4-(chloromethyl)phenol; ethenylbenzene

• ChemBase ID: 147894
• Molecular Formular: C25H25ClO
• Molecular Mass: 376.9184
• Monoisotopic Mass: 376.1593931
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1cc(ccc1CCl)O
• Canonical SMILES: C=Cc1ccccc1.ClCc1ccc(cc1)O.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H10.C8H8.C7H7ClO/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;8-5-6-1-3-7(9)4-2-6/h3-8H,1-2H2;2-7H,1H2;1-4,9H,5H2
• InChIKey: NTTNOTZMYRWGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; 4-(chloromethyl)phenol; ethenylbenzene
• IUPAC Traditional name: divinylbenzene; styrene; 氯甲酚
• Synonyms: ArgoPore™-Cl

Database IDs

• MDL Number: MFCD01092586
• PubChem SID: 162242075; 24871828
• PubChem CID: 16213249

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

Product Information

• Extent of Labeling: 0.6-1.1 mmol Cl per g

DETAILS

Sigma Aldrich - 482501

Legal Information
ArgoPore is a trademark of Argonaut Technologies, Inc.