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| CAS No.: | 2380-86-1 |
|---|---|
| Name: | 6-Hydroxyindole |
| Article Data: | 6 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7NO |
| Molecular Weight: | 133.15 |
| Synonyms: | 1H-indol-6-ol;6-Indolol; |
| EINECS: | 417-020-4 |
| Density: | 1.327 g/cm3 |
| Melting Point: | 124-130 °C |
| Boiling Point: | 343.2 °C at 760 mmHg |
| Flash Point: | 161.4 °C |
| Appearance: | White to off-white shiny crystalline powder |
| Hazard Symbols: |
 Xi,  N,  Xn
|
| Risk Codes: | 36/37/38-51/53-43-41-22 |
| Safety: | 37/39-26-61-24-2 |
| Transport Information: | UN 3077 |
| PSA: | 36.02000 |
| LogP: | 1.87350 |
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Specification
The 6-Hydroxyindole is an organic compound with the formula C8H7NO. The IUPAC name of this chemical is 1H-indol-6-ol. With the CAS registry number 2380-86-1, it is also named as 6-Hydroxy-1H-indole. The product's categories are Blocks; Indoles Oxindoles; Indoles and Derivatives; Heterocycles series; Indoline & Oxindole; Indoles; Indole. Besides, it is a white to off-white shiny crystalline powder, which should be stored at temperature of 2 - 10 °C.
Physical properties about 6-Hydroxyindole are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.9; (5)ACD/BCF (pH 7.4): 6.89; (6)ACD/KOC (pH 5.5): 138.64; (7)ACD/KOC (pH 7.4): 138.59; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 14.16 Å2; (12)Index of Refraction: 1.739; (13)Molar Refractivity: 40.41 cm3; (14)Molar Volume: 100.3 cm3; (15)Polarizability: 16.01×10-24cm3; (16)Surface Tension: 65.8 dyne/cm; (17)Density: 1.327 g/cm3; (18)Flash Point: 161.4 °C; (19)Enthalpy of Vaporization: 61.03 kJ/mol; (20)Boiling Point: 343.2 °C at 760 mmHg; (21)Vapour Pressure: 3.61E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-benzyloxy-indole. This reaction will need reagent H2, catalyst 10percent Pd/C and solvent acetone. The reaction time is 16 hours. The yield is about 73%.
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Uses of 6-Hydroxyindole: it can be used to produce 6-(3-pyridinylmethoxy)indole by heating. It will need reagent potassium carbonate and solvent acetone with reaction time of 24 hours. The yield is about 54%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. It is may cause sensitisation by skin contact and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It should Keep out of the reach of children. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and avoid contact with skin.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1cc[nH]2)O
(2)InChI: InChI=1/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
(3)InChIKey: XAWPKHNOFIWWNZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
(5)Std. InChIKey: XAWPKHNOFIWWNZ-UHFFFAOYSA-N
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