The 2-Propanone,1-(2,3-dichlorophenyl)-, with the CAS registry number 102052-39-1, is also known as 2,3-Dichlorophenylacetone. This chemical's molecular formula is C9H8Cl2O and molecular weight is 203.07. What's more, its systematic name is 1-(2,3-Dichlorophenyl)propan-2-one. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places. When using it, you need avoid contact with skin and eyes.
Physical properties of 2-Propanone,1-(2,3-dichlorophenyl)- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 47.1; (6)ACD/BCF (pH 7.4): 47.1; (7)ACD/KOC (pH 5.5): 548.5; (8)ACD/KOC (pH 7.4): 548.5; (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: 1.541; (14)Molar Refractivity: 50.25 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 19.92×10-24 cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 271.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00649 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=C(C(=CC=C1)Cl)Cl
(2)InChI: InChI=1S/C9H8Cl2O/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4H,5H2,1H3
(3)InChIKey: XDICTTCDZLICHJ-UHFFFAOYSA-N
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