1-ACETYLPYRENE

The Ethanone,1-(1-pyrenyl)- is an organic compound with the formula C₁₈H₁₂O. The IUPAC name of this chemical is 1-pyren-1-ylethanone. With the CAS registry number 3264-21-9, it is also named as 1-Acetylpyrene. The product's categories are C15 to C38; Carbonyl Compounds; Ketones. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about Ethanone,1-(1-pyrenyl)- are: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 4.62; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1902.74; (5)ACD/BCF (pH 7.4): 1902.74; (6)ACD/KOC (pH 5.5): 7744.21; (7)ACD/KOC (pH 7.4): 7744.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.796; (12)Molar Refractivity: 82.49 cm³; (13)Molar Volume: 193.5 cm³; (14)Polarizability: 32.7×10^-24cm³; (15)Surface Tension: 58.3 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 195.6 °C; (18)Enthalpy of Vaporization: 69.44 kJ/mol; (19)Boiling Point: 437.7 °C at 760 mmHg; (20)Vapour Pressure: 7.32E-08 mmHg at 25°C.

Preparation of Ethanone,1-(1-pyrenyl)-: this chemical can be prepared by acetic acid anhydride and pyrene. This reaction will need reagents ZnCl₂, acetic acid. The reaction temperature is 85 - 90 °C.

Uses of Ethanone,1-(1-pyrenyl)-: it can be used to produce pyrene-1-carboxylic acid at temperature of 85 - 90 °C. It will need reagents pyridine, NaOCl with reaction time of 1 hour. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c4ccc2ccc1cccc3c1c2c4cc3)C
(2)InChI: InChI=1/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
(3)InChIKey: KCIJNJVCFPSUBQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
(5)Std. InChIKey: KCIJNJVCFPSUBQ-UHFFFAOYSA-N