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| CAS No.: | 2380-84-9 |
|---|---|
| Name: | 7-Hydroxyindole |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C8H7NO |
| Molecular Weight: | 133.15 |
| Synonyms: | 1H-indol-7-ol;7-Hydroxy Indole;7-Hydroxy-1H-indole; |
| Density: | 1.327 g/cm3 |
| Melting Point: | 84-88 °C |
| Boiling Point: | 343.192 °C at 760 mmHg |
| Flash Point: | 161.357 °C |
| Appearance: | off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 22-41-36/37/38-20/21/22 |
| Safety: | 26-39-36/37/39 |
| PSA: | 36.02000 |
| LogP: | 1.87350 |
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Specification
The IUPAC name of 7-Hydroxyindole is 1H-indol-7-ol. With the CAS registry number 2380-84-9, it is also named as 7-Indolol. The product's categories are Blocks; Indoles Oxindoles; Indoles and Derivatives; Indoline & Oxindole; Indoles; Indole Derivatives. Besides, it is off-white crystalline powder, which should be stored below -20 °C. This chemical can be used in organic synthesis. In addition, its molecular formula is C8H7NO and molecular weight is 133.15.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.952; (4)ACD/LogD (pH 7.4): 1.951; (5)ACD/BCF (pH 5.5): 17.923; (6)ACD/BCF (pH 7.4): 17.903; (7)ACD/KOC (pH 5.5): 274.671; (8)ACD/KOC (pH 7.4): 274.356; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.02 Å2; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 40.41 cm3; (15)Molar Volume: 100.302 cm3; (16)Polarizability: 16.02×10-24cm3; (17)Surface Tension: 65.851 dyne/cm; (18)Density: 1.327 g/cm3; (19)Flash Point: 161.357 °C; (20)Melting Point: 84-88 °C; (21)Enthalpy of Vaporization: 61.025 kJ/mol; (22)Boiling Point: 343.192 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 7-Hydroxyindole: this chemical can be prepared by (3-Benzyloxy-5-chloro-2-nitrophenyl)acetonitrile.
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This reaction needs H2, Acetic acid, Pd/C (10percent Pd) and Ethanol at ambient temperature. The reaction time is 2 hours. The yield is 39 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC2=C(C(=C1)O)NC=C2
(2)InChI: InChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
(3)InChIKey: ORVPXPKEZLTMNW-UHFFFAOYSA-N