1H-Indol-3-ol (480-93-3)

The IUPAC name of 3-Hydroxyindole is 1H-Indol-3-ol. With the CAS registry number 480-93-3, it is also named as Indol-3-ol(7CI,8CI). The product's category is indoline & oxindole. Beside, it is green shiny needles. In addition, its molecular formula is C₈H₇NO and molecular weight is 133.15.

The other characteristics of 3-Hydroxyindole can be summarized as: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 6.9; (7)ACD/KOC (pH 5.5): 138.65; (8)ACD/KOC (pH 7.4): 138.63; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å²; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 40.41 cm³; (15)Molar Volume: 100.3 cm³; (16)Polarizability: 16.01×10^-24cm³; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.327 g/cm³; (19)Flash Point: 161.4 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 343.2 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-05 mmHg at 25 °C.

Preparation of 3-Hydroxyindole: this chemical can be prepared by Ethyl o-azidobenzoyl(phenyl)acetate.



This reaction needs spray vacuum pyrolysis at temperature of 350 °C. The reaction time is 1 hour. The yield is 30 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:Oc2c1ccccc1nc2
(2)InChI:InChI=1/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
(3)InChIKey:PCKPVGOLPKLUHR-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
(5)Std. InChIKey:PCKPVGOLPKLUHR-UHFFFAOYSA-N