diphenyl-2H-1,3-dioxol-2-one

• ChemBase ID: 149959
• Molecular Formular: C15H10O3
• Molecular Mass: 238.2381
• Monoisotopic Mass: 238.06299418
• SMILES: c1ccc(cc1)c1c(oc(=O)o1)c1ccccc1
• Canonical SMILES: O=c1oc(c(o1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
• InChIKey: SROHGOJDCAODGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-2H-1,3-dioxol-2-one
• IUPAC Traditional name: diphenyl-1,3-dioxol-2-one
• Synonyms: 1,2-Diphenylvinylene carbonate; 4,5-Diphenyl-1,3-dioxol-2-one; 4,5-Diphenyl-1,3-dioxol-2-one; 1,2-二苯基亚乙烯基碳酸酯; 4,5-二苯基-1,3-二氧戊环烯-2-酮

Database IDs

• CAS Number: 21240-34-6
• EC Number: 244-287-2
• MDL Number: MFCD00005381
• Beilstein Number: 1114120
• PubChem SID: 24854760; 162244121
• PubChem CID: 88835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3243885
• LogD (pH = 7.4): 3.3243885
• Log P: 3.3243885
• Molar Refractivity: 67.8112 cm^3
• Polarizability: 26.05397 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-75 °C; 71-75 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 97%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C15H10O3

DETAILS

Sigma Aldrich - 245836

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 43366

Other Notes
Protecting group reagent for prim. amines1,2