7-Nitroindole-2-carboxylic acid

The 7-Nitroindole-2-carboxylic acid with its cas register number is 6960-45-8. It also can be called as 7-Nitro-1H-indole-2-carboxylic acid and the IUPAC name about this chemical is 7-nitro-1H-indole-2-carboxylic acid. It belongs to the Indoles and derivatives.

Physical properties about 7-Nitroindole-2-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1.99; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 20.04; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 77.05Ų; (9)Index of Refraction: 1.761; (10)Molar Refractivity: 52 cm³; (11)Molar Volume: 126.2 cm³; (12)Polarizability: 20.61x10^-24cm³; (13)Surface Tension: 89.5 dyne/cm; (14)Enthalpy of Vaporization: 83.58 kJ/mol; (15)Vapour Pressure: 1.13E-11 mmHg at 25°C

Uses of 7-Nitroindole-2-carboxylic acid: it can be used to produce (4-methyl-piperazin-1-yl)-(7-nitro-1H-indol-2-yl)-methanone eith 1-methyl-piperazine at temperature of 20 ℃. This reaction is a kind of Bromination. It will need reagent HATU, 1-hydroxy-7-azabenzotriazole, N,N-diisopropylethylamine and solvent dimethylformamide with reaction time of 48 hours. The yield is about 46%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, also you need not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
(2)InChI: InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
(3)InChIKey: BIUCOFQROHIAEO-UHFFFAOYSA-N