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15903-94-3

Basic Information
CAS No.: 15903-94-3
Name: 6-Benzyloxyindole
Molecular Structure:
Molecular Structure of 15903-94-3 (6-Benzyloxyindole)
Formula: C15H13NO
Molecular Weight: 223.2698
Synonyms: 6-(Phenylmethoxy)indole;
EINECS: -0
Density: 1.196 g/cm3
Melting Point: 116 - 119 °C
Boiling Point: 411.6 °C at 760 mmHg
Flash Point: 148.9 °C
Solubility: hardly soluble in water, soluble in acetone.
Appearance: Colourless crystalline solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25
Transport Information:
PSA: 25.02000
LogP: 3.74690
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Specification

The 6-(Phenylmethoxy)indole is an organic compound with the formula C15H13NO. The IUPAC name of this chemical is 6-Phenylmethoxy-1H-indole. With the CAS registry number 15903-94-3, it is also named as 1H-Indole, 6-(phenylmethoxy)-. The product's categories are Blocks; IndolesOxindoles; Indoline and Oxindole; Heterocyclic Compounds; Indole Series; Aromatics Compounds; Indoles; Simple Indoles; Indole; Aromatics; Indole Derivatives; Building Blocks; Heterocyclic Building Blocks. Besides, it is colourless crystalline Solid, which should be stored at 2 - 8°C.

Physical properties about 6-(Phenylmethoxy)indole are: (1)ACD/LogP: 3.65; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 14.16 Å2; (6)Index of Refraction: 1.669; (7)Molar Refractivity: 69.69 cm3; (8)Molar Volume: 186.5 cm3; (9)Polarizability: 27.62×10-24 cm3; (10)Surface Tension: 51.3 dyne/cm; (11)Density: 1.196 g/cm3; (12)Flash Point: 148.9 °C; (13)Enthalpy of Vaporization: 63.84 kJ/mol; (14)Boiling Point: 411.6 °C at 760 mmHg; (15)Vapour Pressure: 1.31E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-(2-Amino-4-benzyloxy-phenyl)-2-chloro-ethanone. This reaction will need reagent Bu3SnH and solvents dioxane; H2O. The reaction time is 2 hours. The yield is about 68%.

Uses of 6-(Phenylmethoxy)indole: it can be used to produce indol-6-ol. It will need reagent H2, catalyst 10 percent Pd/C and solvent acetone with reaction time of 16 hours. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H13NO/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-10,16H,11H2
(2)InChIKey: FPMICYBCFBLGOZ-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-10,16H,11H2
(4)Std. InChIKey: FPMICYBCFBLGOZ-UHFFFAOYSA-N