3',5'-Dichloroacetophenone

The Ethanone,1-(3,5-dichlorophenyl)-, with CAS registry number 14401-72-0, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Chlorine Compounds. It has the systematic name of 1-(3,5-dichlorophenyl)ethanone. And the chemical formula of this chemical is C₈H₆Cl₂O.

Physical properties of Ethanone,1-(3,5-dichlorophenyl)-: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.44; (6)ACD/BCF (pH 7.4): 213.44; (7)ACD/KOC (pH 5.5): 1617.71; (8)ACD/KOC (pH 7.4): 1617.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.07 cm³; (15)Molar Volume: 144.8 cm³; (16)Polarizability: 18.26×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 52.45 kJ/mol; (19)Vapour Pressure: 0.00281 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(3,5-dichlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)C)cc(Cl)c1
(2)InChI: InChI=1/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(3)InChIKey: JGMBBKVZFUHCJC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(5)Std. InChIKey: JGMBBKVZFUHCJC-UHFFFAOYSA-N