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| CAS No.: | 784-04-3 |
|---|---|
| Name: | 9-ACETYLANTHRACENE |
| Molecular Structure: | |
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| Formula: | C16H12O |
| Molecular Weight: | 220.271 |
| Synonyms: | Ketone,9-anthryl methyl (7CI,8CI);1-(9-Anthracenyl)ethanone;9-Acetylanthracene;9-Anthryl methyl ketone;NSC 1143;NSC 13246; |
| EINECS: | 212-315-2 |
| Density: | 1.164g/cm3 |
| Melting Point: | 75-76 °C(lit.) |
| Boiling Point: | 405.9°C at 760 mmHg |
| Flash Point: | 180.7°C |
| Solubility: | Insoluble in water. |
| Appearance: | yellow to yellow-brown crystalline powder |
| Safety: | 24/25 |
| PSA: | 17.07000 |
| LogP: | 4.19560 |
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Specification
The 9-Acetylanthracene is an organic compound with the formula C16H12O. The IUPAC name of this chemical is 1-anthracen-9-ylethanone. With the CAS registry number 784-04-3, it is also named as Ethanone, 1- (9-anthracenyl)-. The product's categories are C15 to C38; Carbonyl Compounds; Ketones. Besides, it is a yellow to yellow-brown crystalline powder, which should be stored in a closed, cool, dry place. When you are using it, avoid contact with skin and eyes.
Physical properties about 9-Acetylanthracene are: (1)ACD/LogP: 4.13; (2)ACD/LogD (pH 5.5): 4.13; (3)ACD/LogD (pH 7.4): 4.13; (4)ACD/BCF (pH 5.5): 805.41; (5)ACD/BCF (pH 7.4): 805.41; (6)ACD/KOC (pH 5.5): 4185.3; (7)ACD/KOC (pH 7.4): 4185.3; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 71.96 cm3; (13)Molar Volume: 189.1 cm3; (14)Polarizability: 28.52×10-24cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.164 g/cm3; (17)Flash Point: 180.7 °C; (18)Enthalpy of Vaporization: 65.75 kJ/mol; (19)Boiling Point: 405.9 °C at 760 mmHg; (20)Vapour Pressure: 8.47E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl chloride and anthracene. This reaction will need reagent aluminium chloride, benzene. The reaction temperature is -5 - 0 °C.
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Uses of 9-Acetylanthracene: it can be used to produce 1-[9]anthryl-ethanol. It will need reagent NaBH4 and solvent ethanol.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c3c(cc1c2cccc1)cccc3)C
(2)InChI: InChI=1/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
(3)InChIKey: NXXNVJDXUHMAHU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
(5)Std. InChIKey: NXXNVJDXUHMAHU-UHFFFAOYSA-N