1-Propanone,3-chloro-1-(4-methylphenyl)- (22422-21-5)

The 4'-Methyl-3-chloropropiophenone, with the CAS registry number 22422-21-5, is also known as 3-Chloro-1-(4-methylphenyl)-1-propanone. This chemical's molecular formula is C₁₀H₁₁ClO and molecular weight is 182.65. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-1-(4-methylphenyl)propan-1-one. 

Physical properties about 4'-Methyl-3-chloropropiophenone are: (1) ACD/LogP: 2.69; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 17.07 Å²; (7) Index of Refraction: 1.524; (8) Molar Refractivity: 50.58 cm³; (9) Molar Volume: 165.1 cm³; (10) Surface Tension: 37.3 dyne/cm; (11) Density: 1.106 g/cm³; (12) Flash Point: 146.3 °C; (13) Enthalpy of Vaporization: 52.73 kJ/mol; (14) Boiling Point: 288.1 °C at 760 mmHg; (15) Vapour Pressure: 0.00239 mmHg at 25 °C.

Preparation of 4'-Methyl-3-chloropropiophenone: this chemical is prepared by reaction of Methylbenzene with 3-Chloro-propionyl chloride.



This reaction needs reagent AlCl₃ and solvent CH₂Cl₂ at ambient temperature. The reaction time is 4 hours. The yield is 79 %.

Uses of 4'-Methyl-3-chloropropiophenone: it is used to produce other chemicals. For example, it is used to produce 4-p-Tolyl-[1,10]phenanthroline.

The reaction occurs with reagent 75 percent H₃AsO₄, H₃PO₄ at temperature of 100-140 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)CCCl
(2) InChI: InChI=1/C10H11ClO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3
(3) InChIKey: DAOWEVLVOUMCEY-UHFFFAOYAN