2',4'-DICHLOROPROPIOPHENONE

The 1-Propanone,1-(2,4-dichlorophenyl)-, with CAS registry number 37885-41-9, belongs to the following product categories: (1)Aromatic Propiophenones (substituted); (2)Adehydes, Acetals & Ketones; (3)Chlorine Compounds. It has the systematic name of 1-(2,4-dichlorophenyl)propan-1-one. This chemical is a kind of clear slightly yellow liquid. And the chemical formula of this chemical is C₉H₈Cl₂O.

Physical properties of 1-Propanone,1-(2,4-dichlorophenyl)-: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 196.02; (6)ACD/BCF (pH 7.4): 196.02; (7)ACD/KOC (pH 5.5): 1522.07; (8)ACD/KOC (pH 7.4): 1522.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 50.7 cm³; (15)Molar Volume: 161.3 cm³; (16)Polarizability: 20.1×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 109 °C; (20)Enthalpy of Vaporization: 50.16 kJ/mol; (21)Boiling Point: 263.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0101 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Propanone,1-(2,4-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: O=C(c1ccc(Cl)cc1Cl)CC
(2)InChI: InChI=1/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
(3)InChIKey: FBMTWRZQBRHOPF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
(5)Std. InChIKey: FBMTWRZQBRHOPF-UHFFFAOYSA-N