4-CHLORO-3-METHYLACETOPHENONE

The 4-Chloro-3-Methyl acetophenone, with the CAS registry number 37074-39-8, has the systematic name and IUPAC name of 1-(4-chloro-3-methylphenyl)ethanone. It belongs to the following product categories: Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; Chlorine Compounds; C9; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C₉H₉ClO.

The characteristics of 4-Chloro-3-Methyl acetophenone are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.47; (6)ACD/BCF (pH 7.4): 80.47; (7)ACD/KOC (pH 5.5): 804.79; (8)ACD/KOC (pH 7.4): 804.79; (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: 1.528; (14)Molar Refractivity: 46 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 18.23×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 50.08 kJ/mol; (21)Boiling Point: 263 °C at 760 mmHg; (22)Vapour Pressure: 0.0105 mmHg at 25°C. 

Uses of 4-Chloro-3-Methyl acetophenone: It can react with formaldehyde and methylamine; hydrochloride to produce (4-chloro-3-methyl-phenyl)-[4-(4-chloro-3-methyl-phenyl)-4-hydroxy-1-methyl-piperidin-3-yl]-methanone; hydrochloride. This reaction will need reagent HCl, and the menstruum acetonitrile. The reaction time is 20 hours with heating, and the yield is about 82%. 

You should be cautious while dealing with this chemical. It irritates to eyes and skin. It is also risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(C(=O)C)cc1C
(2)InChI: InChI=1/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
(3)InChIKey: XOIGZLJCLDWTQH-UHFFFAOYAR