3-CHLORO-4-METHOXYACETOPHENONE

The Ethanone,1-(3-chloro-4-methoxyphenyl)-, with the CAS registry number 37612-52-5, is also known as 4-Acetyl-2-chloroanisole. It belongs to the product categories of C9; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₉H₉ClO₂ and molecular weight is 184.62. What's more, its IUPAC name and systematic name are the same which is called 1-(3-Chloro-4-methoxyphenyl)ethanone.

Physical properties about Ethanone,1-(3-chloro-4-methoxyphenyl)-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.73; (6)ACD/BCF (pH 7.4): 49.73; (7)ACD/KOC (pH 5.5): 570.26; (8)ACD/KOC (pH 7.4): 570.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 47.85 cm³; (15)Molar Volume: 156.9 cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.176 g/cm³; (18)Flash Point: 130 °C; (19)Enthalpy of Vaporization: 53.5 kJ/mol; (20)Boiling Point: 295.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00154 mmHg at 25 °C; (22)Melting point: 74-78 °C.

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. If swallowed, it’s harmful to health. Therefore, you should wear suitable protective clothing. 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: Clc1cc(ccc1OC)C(=O)C
(2) InChI: InChI=1/C9H9ClO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
(3) InChIKey: QILWOKAXHOAFOF-UHFFFAOYAQ