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| CAS No.: | 33025-60-4 |
|---|---|
| Name: | N-Acetyl-3-hydroxyindole |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | 1H-Indol-3-ol,1-acetyl- (9CI);Indoxyl, 1-acetyl- (6CI);1-(3-Hydroxyindol-1-yl)ethanone;1-Acetyl-3-hydroxyindole;N-Acetylindol-3-ol; |
| Density: | 1.243 g/cm3 |
| Melting Point: | 140-142 °C |
| Boiling Point: | 332.698 °C at 760 mmHg |
| Flash Point: | 155.011 °C |
| Appearance: | Off-white crystals |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 42.23000 |
| LogP: | 2.00700 |
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Specification
The N-Acetyl-3-hydroxyindole, with the CAS registry number 33025-60-4, is also known as and . It belongs to the product categories of Indoles and derivatives; Indole Derivatives; Intermediates. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. Its systematic name is called 1-(3-hydroxy-1H-indol-1-yl)ethanone. This chemical which can be used as a useful synthetic intermediate is off-white crystals.
Physical properties about N-Acetyl-3-hydroxyindole are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.612; (7)Molar Refractivity: 49 cm3; (8)Molar Volume: 140.9 cm3; (9)Surface Tension: 46.8 dyne/cm; (10)Density: 1.24 g/cm3; (11)Melting Point: 140-142 °C; (12)Flash Point: 155 °C; (13)Enthalpy of Vaporization: 59.83 kJ/mol; (14)Boiling Point: 332.7 °C at 760 mmHg; (15)Vapour Pressure: 7.42E-05 mmHg at 25°C.
Uses of N-Acetyl-3-hydroxyindole: it can be heated to produce 2-((Z)-benzylidene)-indolin-3-one. This reaction will need reagent 1.5 mol NaOH and solvent ethanol with reaction time of 2 hours. The yield is about 63%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(n2c1ccccc1c(O)c2)C
(2)InChI: InChI=1/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3
(3)InChIKey: NNJXIAOPPYUVAX-UHFFFAOYAB