2-Butanone,1-chloro-1-(4-chlorophenoxy)-3,3-dimethyl- (57000-78-9)

The CAS register number of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-chloro-2-butanone is . It also can be called as 2-Butanone,1-chloro-1-(4-chlorophenoxy)-3,3-dimethyl- and the IUPAC name about this chemical is 1-chloro-1-(4-chlorophenoxy)-3,3-dimethylbutan-2-one. The molecular formula about this chemical is C₁₂H₁₄Cl₂O₂ and the molecular weight is 261.14. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 1-(4-Chlorophenoxy)-3,3-dimethyl-1-chloro-2-butanone are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 383.62; (5)ACD/BCF (pH 7.4): 383.62; (6)ACD/KOC (pH 5.5): 2461.28; (7)ACD/KOC (pH 7.4): 2461.28; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 65.79 cm³; (13)Molar Volume: 216.8 cm³; (14)Polarizability: 26.08x10^-24cm^3; (15)Surface Tension: 36.9 dyne/cm; (16)Enthalpy of Vaporization: 57.14 kJ/mol; (17)Boiling Point: 328.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000183 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(Cl)C(=O)C(C)(C)C)cc1
(2)InChI: InChI=1/C12H14Cl2O2/c1-12(2,3)10(15)11(14)16-9-6-4-8(13)5-7-9/h4-7,11H,1-3H3
(3)InChIKey: SJEOCSMLOPQAFS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H14Cl2O2/c1-12(2,3)10(15)11(14)16-9-6-4-8(13)5-7-9/h4-7,11H,1-3H3
(5)Std. InChIKey: SJEOCSMLOPQAFS-UHFFFAOYSA-N