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CAS No.: | 25871-69-6 |
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Name: | 1,3,5-TRIBENZOYLBENZENE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C27H18O3 |
Molecular Weight: | 390.438 |
Synonyms: | Benzene,1,3,5-tribenzoyl- (6CI,7CI,8CI);1,3,5-Tribenzoylbenzene;Benzene-1,3,5-triyltris(phenylmethanone); |
Density: | 1.205 g/cm3 |
Melting Point: | 118-119 °C |
Boiling Point: | 594.7 °C at 760 mmHg |
Flash Point: | 254.6 °C |
Hazard Symbols: | Xi |
PSA: | 51.21000 |
LogP: | 5.37960 |
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The CAS registry number of Methanone,1,3,5-benzenetriyltris[phenyl- is 25871-69-6. The IUPAC name is (3,5-dibenzoylphenyl)-phenylmethanone. In addition, the molecular formula is C27H18O3 and the molecular weight is 390.43. It is also called 1,3,5-Tribenzoylbenzene. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 18862.7; (6)ACD/BCF (pH 7.4): 18862.7; (7)ACD/KOC (pH 5.5): 40000.34; (8)ACD/KOC (pH 7.4): 40000.34; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 51.21 Å2; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 115.63 cm3; (14)Molar Volume: 323.7 cm3; (15)Polarizability: 45.84 ×10-24cm3; (16)Surface Tension: 51.2 dyne/cm; (17)Density: 1.205 g/cm3; (18)Flash Point: 254.6 °C; (19)Enthalpy of Vaporization: 88.63 kJ/mol; (20)Boiling Point: 594.7 °C at 760 mmHg; (21)Vapour Pressure: 4.14E-14 mmHg at 25°C.
Preparation of Methanone,1,3,5-benzenetriyltris[phenyl-: it can be prepared by 1-phenyl-propynone. This reaction will need reagent t-butyl azide and solvent dioxane. The reaction time is 30 hours at reaction temperature of 100 °C. The yield is about 64.3%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)c3cc(cc(C(=O)c2ccccc2)c3)C(=O)c4ccccc4
(2)InChI: InChI=1/C27H18O3/c28-25(19-10-4-1-5-11-19)22-16-23(26(29)20-12-6-2-7-13-20)18-24(17-22)27(30)21-14-8-3-9-15-21/h1-18H
(3)InChIKey: FDSRSUAVHPFWGT-UHFFFAOYAV