4,4'-DICHLOROBUTYROPHENONE

The CAS register number of 4,4'-Dichlorobutyrophenone is 40877-09-6. It also can be called as 1-Butanone,4-chloro-1-(4-chlorophenyl)- and the IUPAC name about this chemical is 4-chloro-1-(4-chlorophenyl)butan-1-one. The molecular formula about this chemical is C₁₀H₁₀Cl₂O and the molecular weight is 217.09. This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes.

Physical properties about 4,4'-Dichlorobutyrophenone are: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 194.73; (5)ACD/BCF (pH 7.4): 194.73; (6)ACD/KOC (pH 5.5): 1514.91; (7)ACD/KOC (pH 7.4): 1514.91; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 17.07Ų; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 55.29 cm³; (13)Molar Volume: 177.3 cm³; (14)Polarizability: 21.91x10^-24cm³; (15)Surface Tension: 40.1 dyne/cm; (16)Flash Point: 140.7 °C; (17)Enthalpy of Vaporization: 57.67 kJ/mol; (18)Boiling Point: 333.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000133 mmHg at 25°C.

Preparation: this chemical can be prepared by chlorobenzene and 4-chloro-butyryl chloride. This reaction will need reagent AlCl₃. The reaction time is 1 hour(s) with reaction temperature of 20 °C. The yield is about 72%.

Uses of 4,4'-Dichlorobutyrophenone: it can be used to produce 3-(4-chloro-phenyl)-1-phenyl-1,4,5,6-tetrahydro-pyridazine with phenylhydrazine at heating. This reaction will need solvent ethanol with reaction time of 3 hours. The yield is about 63.5%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CCCCl
(2)InChI: InChI=1/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
(3)InChIKey: UKCHLVFIVJBCKE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
(5)Std. InChIKey: UKCHLVFIVJBCKE-UHFFFAOYSA-N