6-Cyanoindole

The 6-Indolecarbonitrile is an organic compound with the formula C₉H₆N₂. The IUPAC name of this chemical is 1H-Indole-6-carbonitrile. With the CAS registry number 15861-36-6, it is also named as Indole-6-carbonitrile. The product's categories are Blocks; Carboxes; IndolesOxindoles; Indoles and derivatives; Indole; Indole Derivatives; Indoles; Simple Indoles. Besides, it is off-white crystalline solid, which should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about 6-Indolecarbonitrile are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.86; (5)ACD/BCF (pH 7.4): 37.86; (6)ACD/KOC (pH 5.5): 469.07; (7)ACD/KOC (pH 7.4): 469.07; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.72 Å²; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 42.8 cm³; (13)Molar Volume: 113.9 cm³; (14)Polarizability: 16.96×10^-24 cm³; (15)Surface Tension: 61.5 dyne/cm; (16)Density: 1.24 g/cm³; (17)Flash Point: 121.9 °C; (18)Enthalpy of Vaporization: 59.46 kJ/mol; (19)Boiling Point: 350 °C at 760 mmHg; (20)Vapour Pressure: 4.51E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by Trans-4-cyano-β-dimethylamino-2-nitrostyrene. This reaction will need reagent H₂, catalyst 10 percent Pd/C and solvent tetrahydrofuran. The reaction time is 1 hour. The yield is about 86%.

Uses of 6-Indolecarbonitrile: it can be used to produce 6-Cyano-3-(trifluoroacetyl)indole at temperature of 0.5 °C. It will need reagent SnCl₄ and solvent benzene with reaction time of 1 hour. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, do not breathe dust, and wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
(2)InChIKey: SZSZDBFJCQKTRG-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
(4)Std. InChIKey: SZSZDBFJCQKTRG-UHFFFAOYSA-N