5,7-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID

The CAS register number of 1H-Indole-2-carboxylicacid, 5,7-dichloro- is 4792-71-6. It also can be called as 5,7-Dichloroindole-2-carboxylic acid and the systematic name about this chemical is 5,7-dichloro-1H-indole-2-carboxylic acid. The molecular formula about this chemical is C₉H₅Cl₂NO₂ and the molecular weight is 230.05. It belongs to the following product categories which include pharmacetical; Indole; Indoles and so on.

Physical properties about 1H-Indole-2-carboxylicacid, 5,7-dichloro- are: (1)ACD/LogP: 4.21; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 1.23; (4)ACD/BCF (pH 5.5): 24.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 120.52; (7)ACD/KOC (pH 7.4): 4.81; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.73; (13)Molar Refractivity: 55.24 cm³; (14)Molar Volume: 138.3 cm³; (15)Polarizability: 21.9x10^-24cm³; (16)Surface Tension: 73.2 dyne/cm; (17)Density: 1.663 g/cm³; (18)Flash Point: 242.2 °C; (19)Enthalpy of Vaporization: 78.03 kJ/mol; (20)Boiling Point: 476.9 °C at 760 mmHg; (21)Vapour Pressure: 6.64E-10 mmHg at 25 °C.

Uses of 1H-Indole-2-carboxylicacid, 5,7-dichloro-: it can be used to produce (5,7-dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone with 1-methyl-piperazine. This reaction will need reagent of (1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride and solvent of CH₂Cl₂. The reaction time is 18 hours with reaction temperature of 20 °C. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(c(Cl)c1)nc(c2)C(=O)O
(2)InChI: InChI=1/C9H5Cl2NO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
(3)InChIKey: QILAXMNESNFYJG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H5Cl2NO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
(5)Std. InChIKey: QILAXMNESNFYJG-UHFFFAOYSA-N