| Identification | |
| Name: | Ethanone,2-chloro-1-(4-methylphenyl)- |
| Synonyms: | Acetophenone,2-chloro-4'-methyl- (8CI);2-Chloro-1-(4'-methylphenyl)ethanone;2-Chloro-4'-methylacetophenone;4-(2-Chloroacetyl)toluene;4-Methylphenacylchloride;Chloromethyl 4-methylphenyl ketone;Chloromethyl p-tolyl ketone;NSC41667;p-Methyl-2-chloroacetophenone;p-Methylphenacyl chloride;a-Chloro-4'-methylacetophenone;4-Methyl-2'-chloroacetophenone; |
| CAS: | 4209-24-9 |
| Molecular Formula: | C9H9ClO |
| Molecular Weight: | 168.62 |
| InChI: | InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.134 g/cm3 |
| Refractive index: | 1.53 |
| Specification: |
The Chloromethyl p-tolyl ketone is an organic compound with the formula C9H9ClO. The IUPAC name of this chemical is 2-chloro-1-(4-methylphenyl)ethanone. With the CAS registry number 4209-24-9, it is also named as ethanone, 2-chloro-1-(4-methylphenyl)-. The product's categories are acetylhalide; benzene series. The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07Å2; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 45.95 cm3; (11)Molar Volume: 148.6 cm3; (12)Polarizability: 18.21×10-24cm3; (13)Surface Tension: 37.8 dyne/cm; (14)Enthalpy of Vaporization: 49.61 kJ/mol; (15)Vapour Pressure: 0.0137 mmHg at 25°C. Preparation of Chloromethyl p-tolyl ketone: It can be obtained by 1-p-tolyl-ethanol. This reaction needs reagent N,N-dichloro-p-toluenesulfonamide and solvent acetonitrile at temperature of 35 °C. The reaction time is 1 hours. The yield is 80%. Uses of Chloromethyl p-tolyl ketone: It can react with thioacetamide to get 2-methyl-4-p-tolyl-thiazole. This reaction needs solvent ethanol. People can use the following data to convert to the molecule structure. |
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