3,3-DIBROMO-5-CHLORO-1,3-DIHYDROINDOL-2-ONE

The CAS register number of 2H-Indol-2-one,3,3-dibromo-5-chloro-1,3-dihydro- is 113423-48-6. The systematic name about this chemical is 3,3-dibromo-5-chloro-1,3-dihydro-2H-indol-2-one. The molecular formula about this chemical is C₈H₄Br₂ClNO and the molecular weight is 325.38.

Physical properties about 2H-Indol-2-one,3,3-dibromo-5-chloro-1,3-dihydro- are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.36; (4)ACD/BCF (pH 5.5): 213.57; (5)ACD/BCF (pH 7.4): 210.28; (6)ACD/KOC (pH 5.5): 1618.31; (7)ACD/KOC (pH 7.4): 1593.39; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.694; (12)Molar Refractivity: 57.66 cm³; (13)Molar Volume: 150.1 cm³; (14)Polarizability: 22.86x10^-24cm³; (15)Surface Tension: 64.1 dyne/cm; (16)Density: 2.166 g/cm³; (17)Flash Point: 184.9 °C; (18)Enthalpy of Vaporization: 63.04 kJ/mol; (19)Boiling Point: 382 °C at 760 mmHg; (20)Vapour Pressure: 4.86E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-chloro-indole. This reaction will need reagent of pyridinium bromide perbromide and solvent of 2-methyl-propan-2-ol. The reaction time is 3.5 hours with reaction temperature of 25 °C. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)NC(=O)C2(Br)Br
(2)InChI: InChI=1/C8H4Br2ClNO/c9-8(10)5-3-4(11)1-2-6(5)12-7(8)13/h1-3H,(H,12,13)
(3)InChIKey: NUTLAFZUEITWQI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H4Br2ClNO/c9-8(10)5-3-4(11)1-2-6(5)12-7(8)13/h1-3H,(H,12,13)
(5)Std. InChIKey: NUTLAFZUEITWQI-UHFFFAOYSA-N