5-Acetylindane

The 5-Acetylindane, with the CAS registry number of 4228-10-8, is also known as Ethanone,1-(2, 3-dihydro-1H-inden-5-yl)-. This chemical's molecular formula is C₁₁H₁₂O and molecular weight is 160.21. What's more, its IUPAC name is 1-(2, 3-Dihydro-1H-inden-5-yl)ethanone. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 5-Acetylindane are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 48.45 cm³; (9)Molar Volume: 150 cm³; (10)Surface Tension: 40.5 dyne/cm; (11)Density: 1.067 g/cm³; (12)Flash Point: 123.5 °C; (13)Enthalpy of Vaporization: 53.08 kJ/mol; (14)Boiling Point: 291.4 °C at 760 mmHg; (15)Vapour Pressure: 0.00196 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Indan with Acetyl chloride. The reaction needs reagent AlCl₃ and solvent Chlorobenzene. The reaction temperature is 0-20 °C. The yield is about 87 %.

Uses of 5-Acetylindane: it is used to produce other chemicals. For example, it is used to produce Indan-5-carboxylic acid. The reaction needs reagent NaOBr. This reaction needs two steps, the reaction conditions are 1.) 3 h, 0 °C; 2.) r. t., overnight. The yield is about 89 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc2c(c1)CCC2)C
(2) InChI: InChI=1/C11H12O/c1-8(12)10-6-5-9-3-2-4-11(9)7-10/h5-7H,2-4H2,1H3
(3) InChIKey: HCMWPTFPUCPKQM-UHFFFAOYAJ