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4,5-Diphenyl-1,3-dioxol-2-one

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Name

4,5-Diphenyl-1,3-dioxol-2-one

EINECS 244-287-2
CAS No. 21240-34-6 Density 1.288 g/cm3
PSA 43.35000 LogP 3.56680
Solubility soluble in alcohol and insoluble in water Melting Point 1-75 °C
Formula C15H10O3 Boiling Point 366.3 °C at 760 mmHg
Molecular Weight 238.243 Flash Point 146 °C
Transport Information N/A Appearance white crystal
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 21240-34-6 (1,2-DIPHENYLVINYLENE CARBONATE) Hazard Symbols N/A
Synonyms

1,2-Diphenylvinylene carbonate;

Article Data 9

4,5-Diphenyl-1,3-dioxol-2-one Specification

The IUPAC name of 4,5-Diphenyl-1,3-dioxol-2-one is 4,5-Diphenyl-1,3-dioxol-2-one. With the CAS registry number 21240-34-6, it is also named as 1,2-Diphenylvinylene carbonate. The product's category is Heterocyclic Compounds. Besides, it is white crystal, which is soluble in alcohol and insoluble in water. In addition, its molecular formula is C15H10O3 and molecular weight is 238.24. Moreover, when you are using this chemical, please do not breathe dust. And please avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)EINECS: 244-287-2; (2)ACD/LogP: 3.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.92; (5)ACD/LogD (pH 7.4): 3.92; (6)ACD/BCF (pH 5.5): 565.51; (7)ACD/BCF (pH 7.4): 565.51; (8)ACD/KOC (pH 5.5): 3249.38; (9)ACD/KOC (pH 7.4): 3249.38; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 2; (13)Polar Surface Area: 35.53 Å2; (14)Index of Refraction: 1.628; (15)Molar Refractivity: 65.66 cm3; (16)Molar Volume: 184.9 cm3; (17)Polarizability: 26.02×10-24cm3; (18)Surface Tension: 50.9 dyne/cm; (19)Density: 1.288 g/cm3; (20)Flash Point: 146 °C; (21)Melting point: 71-75 °C; (22)Enthalpy of Vaporization: 61.27 kJ/mol; (23)Boiling Point: 366.3 °C at 760 mmHg; (24)Vapour Pressure: 1.48E-05 mmHg at 25 °C.

Preparation of 4,5-Diphenyl-1,3-dioxol-2-one: this chemical can be prepared by 1H,1'H-1,1'-Carbonyl-bis-imidazole and 2-Hydroxy-1,2-diphenyl-ethanone.



This reaction needs DMAP and Tetrahydrofuran by heating. The reaction time is 3 hours. The yield is 80 %.

Uses of 4,5-Diphenyl-1,3-dioxol-2-one: this chemical is intermediates in organic synthesis. Furthermore, it is used for producting Dibenzoyl monoperoxycarbonate.



This reaction needs CH2Cl2 and O3 at temperature of 0 °C. The yield is 75.6 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2O/C(c1ccccc1)=C(\O2)c3ccccc3
(2)InChI:InChI=1/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
(3)InChIKey:SROHGOJDCAODGI-UHFFFAOYAW
(4)Std. 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
(5)Std. InChIKey:SROHGOJDCAODGI-UHFFFAOYSA-N

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