5-BROMOINDOXYL DIACETATE

The Ethanone,1-[3-(acetyloxy)-5-bromo-1H-indol-1-yl]-, with the CAS registry number 33588-54-4, is also known as N-Acetyl-5-bromoindolyl acetate. This chemical's molecular formula is C₁₂H₁₀BrNO₃ and molecular weight is 296.12. What's more, its systematic name is 1-acetyl-5-bromo-1H-indol-3-yl acetate. When using it, you should avoid contact with skin and eyes. It should be sealed and stored at the temperature of 0 - 6 °C. Moreover, it should be protected from light and open flames.

Physical properties of Ethanone,1-[3-(acetyloxy)-5-bromo-1H-indol-1-yl]- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.44; (6)ACD/BCF (pH 7.4): 32.44; (7)ACD/KOC (pH 5.5): 420.02; (8)ACD/KOC (pH 7.4): 420.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 66.98 cm³; (15)Molar Volume: 191.4 cm³; (16)Polarizability: 26.55×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 193.1 °C; (20)Enthalpy of Vaporization: 64.59 kJ/mol; (21)Boiling Point: 395.7 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-06 mmHg at 25°C.

Uses of Ethanone,1-[3-(acetyloxy)-5-bromo-1H-indol-1-yl]-: it can be used to produce 9-bromo-11-acetylamino-2,5-dimethyl-3-ethoxycarbonylthieno[2',3':5,6]pyrimido[3,4-a]indole and 4-hydrazino-2-methyl-thiophene-3-carboxylic acid ethyl ester by heating. The reaction time is 5 min. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)n(cc2OC(=O)C)C(=O)C
(2)InChI: InChI=1S/C12H10BrNO3/c1-7(15)14-6-12(17-8(2)16)10-5-9(13)3-4-11(10)14/h3-6H,1-2H3
(3)InChIKey: XJRIDJAGAYGJCK-UHFFFAOYSA-N