The IUPAC name of?3-Chloropropiophenone is?3-chloro-1-phenylpropan-1-one. With the?CAS registry number 936-59-4,?it is also named as 2-Chloroethyl phenyl ketone.?The product's category is?Ketones.?It is faintly yellow to tan crystalline powder?which is stable and?incompatible with strong bases, strong oxidizing agents. Additionally,?this chemical should be sealed in the container and stored in the cool and dry place.?
The other characteristics of this product can be summarized as:?(1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.09; (6)ACD/BCF (pH 7.4): 29.09; (7)ACD/KOC (pH 5.5): 388.49; (8)ACD/KOC (pH 7.4): 388.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 45.76 cm3; (14)Molar Volume: 148.8 cm3; (15)Polarizability: 18.14×10-24 cm3; (16)Surface Tension: 38.4 dyne/cm; (17)Enthalpy of Vaporization: 50.11 kJ/mol; (18)Vapour Pressure: 0.0104 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 2; (21)Exact Mass: 168.034193; (22)MonoIsotopic Mass: 168.034193; (23)Topological Polar Surface Area: 17.1; (24)Heavy Atom Count: 11; (25)Complexity: 128.
Preparation of 3-Chloropropiophenone: It can be obtained by 3-chloro-propionyl chloride?and benzene.?This reaction needs reagent?AlCl3.??
Uses of 3-Chloropropiophenone:?It is used to produce Bupropion. And it also can used in?the organic synthesis. For example: it can react with?methylmagnesium iodide to get 4-chloro-2-phenyl-butan-2-ol. This reaction needs?diethyl ether.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1)CCCl
2.?InChI:InChI=1/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2