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Name |
Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)- |
EINECS | N/A |
CAS No. | 10047-18-4 | Density | 1.179 g/cm3 |
PSA | 17.07000 | LogP | 3.14100 |
Solubility | N/A | Melting Point |
143 °C |
Formula | C14H12O | Boiling Point | 377.3 °C at 760 mmHg |
Molecular Weight | 196.249 | Flash Point | 167.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ketone,5-acenaphthenyl methyl (6CI,7CI,8CI);5-Acetylacenaphthene;NSC 142100; |
Article Data | 2 |
The Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-, with the CAS registry number 10047-18-4, is also known as Ketone, 5-acenaphthenyl methyl. It belongs to the product category of Aromatic Phenols. This chemical's molecular formula is C14H12O and molecular weight is 196.24. What's more, both its IUPAC name and systematic name are the same which is called 1-(1,2-Dihydroacenaphthylen-5-yl)ethanone.
Physical properties about Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 340.4; (6)ACD/BCF (pH 7.4): 340.4; (7)ACD/KOC (pH 5.5): 2259.47; (8)ACD/KOC (pH 7.4): 2259.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 61.68 cm3; (15)Molar Volume: 166.4 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.179 g/cm3; (18)Flash Point: 167.8 °C; (19)Enthalpy of Vaporization: 62.51 kJ/mol; (20)Boiling Point: 377.3 °C at 760 mmHg; (21)Vapour Pressure: 6.81E-06 mmHg at 25 °C.
Preparation of Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-: this chemical can be prepared by Acenaphthene with Acetyl chloride. This reaction needs reagent AlCl3 and solvent 1,2-dichloro-ethane at ambient temperature. The reaction time is 3 hours. The yield is 63 %.
Uses of Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-: it is used to produce other chemicals. For example, it can react with (4-Bromo-benzylidene)-naphthalen-2-yl-amine to get 1-Acenaphthen-5-yl-3-(4-bromo-phenyl)-benzo[f]quinoline. The reaction occurs with reagents HCl, nitrobenzene, solvent ethanol and other condition of heating. The yield is 46 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc3c2c1cccc2CC3)C
(2) InChI: InChI=1/C14H12O/c1-9(15)12-8-7-11-6-5-10-3-2-4-13(12)14(10)11/h2-4,7-8H,5-6H2,1H3
(3) InChIKey: SYGRLGANSVWJGM-UHFFFAOYAM