CAS No.3363-97-1,1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3363-97-1
Name:	1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
Article Data:	25

Formula:	C₂₂H₁₄O₄
Molecular Weight:	342.351
Synonyms:	Ethanedione,1,1'-(1,4-phenylene)bis[2-phenyl- (9CI);Glyoxal, p-phenylenebis[phenyl-(7CI,8CI);1,4-Bis(2-phenyl-1,2-dioxoethyl)benzene;1,4-Bis(phenylglyoxalyl)benzene;1,4-Bis(phenylglyoxyloyl)benzene;1,4-Bis(phenylglyoxylyl)benzene;2,2'-Diphenyl-1,1'-(1,4-phenylene)diethanedione;NSC 379518;p-(Phenylglyoxyloyl)benzil;p-Bis(phenylglyoxaloyl)benzene;p-Bis(phenylglyoxalyl)benzene;p-Bis(phenylglyoxyloyl)benzene;p-Di(phenylglyoxalyl)benzene;
Density:	1.261 g/cm³
Melting Point:	125°C
Boiling Point:	549 °C at 760 mmHg
Flash Point:	237.7 °C
Hazard Symbols:	Xn
Risk Codes:	R42/43
PSA:	68.28000
LogP:	3.81780

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Specification

The 1,4-Bisbenzil is an organic compound with the formula C₂₂H₁₄O₄. The IUPAC name of this chemical is 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione. With the CAS registry number 3363-97-1, it is also named as 1,1'-(1,4-Phenylene)bis(2-phenylethane-1,2-dione). Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about 1,4-Bisbenzil are: (1)ACD/LogP: 4.97; (2)ACD/LogD (pH 5.5): 4.97; (3)ACD/LogD (pH 7.4): 4.97; (4)ACD/BCF (pH 5.5): 3529.08; (5)ACD/BCF (pH 7.4): 3529.08; (6)ACD/KOC (pH 5.5): 12050.66; (7)ACD/KOC (pH 7.4): 12050.66; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 68.28 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 96.24 cm³; (13)Molar Volume: 271.3 cm³; (14)Polarizability: 38.15×10^-24cm³; (15)Surface Tension: 55 dyne/cm; (16)Density: 1.261 g/cm³; (17)Flash Point: 237.7 °C; (18)Enthalpy of Vaporization: 82.87 kJ/mol; (19)Boiling Point: 549 °C at 760 mmHg; (20)Vapour Pressure: 4.22E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-Bis(2-phenylepoxyethyl)benzene. This reaction will need reagent HBr, DMSO. The reaction time is 6 hours with reaction temperature of 125 °C. The yield is about 35%.

Uses of 1,4-Bisbenzil: it can be used to produce hydroxy-[4-(oxo-phenyl-acetyl)-phenyl]-phenyl-acetic acid at temperature of 25 °C. It will need reagent NaOH and solvent dioxane, H₂O with reaction time of 7 min. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)c1ccccc1)c3ccc(C(=O)C(=O)c2ccccc2)cc3
(2)InChI: InChI=1/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H
(3)InChIKey: FUEGWHHUYNHBNI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H
(5)Std. InChIKey: FUEGWHHUYNHBNI-UHFFFAOYSA-N