Basic information
- Name:
2H-Indol-2-one,1,3-dihydro-5-hydroxy-
- Superlist Name:
- 5-Hydroxy-2-oxyindole
- CAS No.:
3416-18-0
- Molecular Structure:
- Formula:
- C8H7NO2
- Molecular Weight:
- 149.15
- Synonyms:
- 2-Indolinone,5-hydroxy- (7CI,8CI);Oxindole, 5-hydroxy- (6CI);5-Hydroxyindolin-2-one;5-Hydroxyoxindole;
- EINECS:
- 222-309-1
- Density:
- 1.362 g/cm3
- Boiling Point:
- 419.858 °C at 760 mmHg
- Flash Point:
- 207.723 °C
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Specification
The 2H-Indol-2-one,1,3-dihydro-5-hydroxy-, with the CAS registry number 3416-18-0, is also known as 5-Hydroxy-1,3-dihydro-2H-indol-2-one. It belongs to the product categories of Indoles and Derivatives; Pharmacetical; Indoline & Oxindole. Its EINECS registry number is 222-309-1. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.15. What's more, its IUPAC name is called 5-Hydroxy-1,3-dihydroindol-2-one.
Physical properties about 2H-Indol-2-one,1,3-dihydro-5-hydroxy- are: (1)ACD/LogP: 0.303; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.30; (4)ACD/LogD (pH 7.4): 0.30; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 34.80; (8)ACD/KOC (pH 7.4): 34.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 39.176 cm3; (15)Molar Volume: 109.485 cm3; (16)Polarizability: 15.53×10-24cm3; (17)Surface Tension: 57.20 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 207.723 °C; (20)Enthalpy of Vaporization: 69.974 kJ/mol; (21)Boiling Point: 419.858 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 2H-Indol-2-one,1,3-dihydro-5-hydroxy-: this chemical can be prepared by 5-hydroxy-1-methoxy-1,3-dihydro-indol-2-one. This reaction needs reagent H2 and solvent methanol. The yield is 72 %.
Uses of 2H-Indol-2-one,1,3-dihydro-5-hydroxy-: it is used to produce other chemicals. For example, it can react with sulfuric acid dimethyl ester to get 5-methoxy-1,3-dihydro-indol-2-one. The reaction occurs with reagent potassium hydroxide and solvent H2O. The reaction time is 2 hours. The yield is 73 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc1ccc(O)cc1C2
(2) InChI: InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)
(3) InChIKey: ZGTUSQAQXWSMDW-UHFFFAOYSA-N
