1-Acetyl-5-bromo-7-nitroindoline

The Ethanone,1-(5-bromo-2,3-dihydro-7-nitro-1H-indol-1-yl)-, with CAS registry number 62368-07-4, belongs to the following product categories: (1)Indoles and derivatives; (2)Indole; (3)Halogenated Heterocycles; (4)Heterocyclic Building Blocks; (5)Indoles; (6)IndolesBuilding Blocks. It has the systematic name of 1-acetyl-5-bromo-7-nitro-2,3-dihydro-1H-indole. This chemical should be stored at the temperature of 2-8°C.

Physical properties of Ethanone,1-(5-bromo-2,3-dihydro-7-nitro-1H-indol-1-yl)-: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.07; (6)ACD/BCF (pH 7.4): 22.07; (7)ACD/KOC (pH 5.5): 318.84; (8)ACD/KOC (pH 7.4): 318.84; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 60.82 cm³; (15)Molar Volume: 168.8 cm³; (16)Polarizability: 24.11×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Enthalpy of Vaporization: 74.77 kJ/mol; (19)Vapour Pressure: 1.78E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-acetyl-5-bromo-2,3-dihydro-indole. This reaction will need reagents HNO₃, H₂SO₄ and solvent acetic acid. The reaction time is 6 hour(s) with reaction temperature of 5 ℃.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(5-bromo-2,3-dihydro-7-nitro-1H-indol-1-yl)- is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(Br)cc2c1N(C(=O)C)CC2
(2)InChI: InChI=1/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
(3)InChIKey: RCELVCGNAKOBPO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
(5)Std. InChIKey: RCELVCGNAKOBPO-UHFFFAOYSA-N