4-FLUORO-1-ACETONAPHTHONE

The Ethanone,1-(4-fluoro-1-naphthalenyl)-, with the CAS registry number 316-68-7, is also known as 4-Fluoro-1-acetonaphthone. It belongs to the product categories of Aromatic Halides (Substituted); C11 to C12; Carbonyl Compounds; Ketones. Its EINECS registry number is 206-261-9. This chemical's molecular formula is C₁₂H₉FO and molecular weight is 188.2. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Fluoronaphthalen-1-yl)ethanone.

Physical properties about Ethanone,1-(4-fluoro-1-naphthalenyl)-: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 102.93; (6)ACD/BCF (pH 7.4): 102.93; (7)ACD/KOC (pH 5.5): 959.8; (8)ACD/KOC (pH 7.4): 959.8; (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: 1.594; (14)Molar Refractivity: 54.11 cm³; (15)Molar Volume: 159.2 cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.181 g/cm³; (18)Flash Point: 129.9 °C; (19)Enthalpy of Vaporization: 53.41 kJ/mol; (20)Boiling Point: 294.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00162 mmHg at 25 °C.

Preparation of Ethanone,1-(4-fluoro-1-naphthalenyl)-: it can be obtained by 1-Fluoro-naphthalene and Acetyl chloride. The reaction occurs with reagent AlCl₃ and solvent CH₂Cl₂ at ambient temperature for 4 hours. The yield is 100 %.

Uses of Ethanone,1-(4-fluoro-1-naphthalenyl)-: it is used to produce 4-Fluoro-[1]naphthoic acid. The reaction occurs with reagent NaOCl and solvent H₂O heating for 4.5 hours. The yield is 60 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2c1ccccc1c(F)cc2)C
(2) InChI: InChI=1/C12H9FO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-7H,1H3
(3) InChIKey: GAMOBQXCYKWQLT-UHFFFAOYAR