1,3-Cyclohexanedione,5-(4-chlorophenyl)- (27463-38-3)

The CAS register number of 5-(4-Chlorophenyl)cyclohexane-1,3-dione is 27463-38-3. It also can be called as 1,3-Cyclohexanedione,5-(4-chlorophenyl)- and the systematic name about this chemical is 5-(4-chlorophenyl)cyclohexane-1,3-dione. The molecular formula about this chemical is C₁₂H₁₁ClO₂ and molecular weight is 222.67. It belongs to the following product categories, such as Miscellaneous; C11 to C12; Carbonyl Compounds; Ketones and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 5-(4-Chlorophenyl)cyclohexane-1,3-dione are: (1)ACD/LogP: 1.58; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 34.14Ų; (5)Index of Refraction: 1.565; (6)Molar Refractivity: 57.27 cm³; (7)Molar Volume: 175.5 cm³; (8)Polarizability: 22.7x10^-24cm³; (9)Surface Tension: 47 dyne/cm; (10)Enthalpy of Vaporization: 63.29 kJ/mol; (11)Boiling Point: 384.2 °C at 760 mmHg; (12)Vapour Pressure: 4.16E-06 mmHg at 25°C.

Uses of 5-(4-Chlorophenyl)cyclohexane-1,3-dione: it can be used to produce 7-chloro-1,2-dihydro-2-(4-chlorophenyl)-4(3H,10H)-phenothiazinone with 2-amino-5-chloro-benzenethiol at heating. This reaction will need solvent dimethylsulfoxide with reaction time of 45 min. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C2CC(=O)CC(=O)C2
(2)InChI: InChI=1/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
(3)InChIKey: MAFYKXZPGMHTIA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
(5)Std. InChIKey: MAFYKXZPGMHTIA-UHFFFAOYSA-N