1-ethenyl-4-phenoxybenzene

• ChemBase ID: 108979
• Molecular Formular: C14H12O
• Molecular Mass: 196.24448
• Monoisotopic Mass: 196.088815
• SMILES: C=Cc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: C=Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
• InChIKey: UULPGUKSBAXNJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-phenoxybenzene
• IUPAC Traditional name: 1-ethenyl-4-phenoxybenzene
• Synonyms: 4-Vinyldiphenyl ether; 4-Phenoxystyrene; 4-PHENOXYSTYRENE; 4-苯氧基苯乙烯

Database IDs

• CAS Number: 4973-29-9
• EC Number: 225-620-0
• MDL Number: MFCD00026066
• Beilstein Number: 1942846
• PubChem SID: 162106225
• PubChem CID: 78671

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.210235
• LogD (pH = 7.4): 4.210235
• Log P: 4.210235
• Molar Refractivity: 61.9851 cm^3
• Polarizability: 24.24938 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115-117°C/3mm
• Flash Point: >110°C(230°F)
• Density: 1.061
• Refractive Index: 1.6020

Safety Information

• TSCA Listed: 否

Product Information

• Purity: tech. 90%, stab. with ca 100ppm 4-tert-butylcatechol

DETAILS

MP Biomedicals - 05209418

MP Biomedicals Rare Chemical collection