2,2-diphenyloxirane

• ChemBase ID: 39661
• Molecular Formular: C14H12O
• Molecular Mass: 196.24448
• Monoisotopic Mass: 196.088815
• SMILES: C1(OC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1(OC1)c1ccccc1
• InChI: InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2
• InChIKey: PRLJMHVNHLTQJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenyloxirane
• IUPAC Traditional name: 2,2-diphenyloxirane
• Synonyms: 2,2-Diphenyloxirane; 1,1-Diphenylethylene oxide; 2,2-Diphenyloxirane 97%

Database IDs

• CAS Number: 882-59-7
• MDL Number: MFCD00040725
• PubChem SID: 161002968
• PubChem CID: 93564

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2467868
• LogD (pH = 7.4): 3.2467868
• Log P: 3.2467868
• Molar Refractivity: 60.0295 cm^3
• Polarizability: 23.602928 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56 °C; 54-56°C

Safety Information

• Storage Condition: Store under N2 at -18°C
• Storage Warning: Highly Flammable/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%