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1H-Indole-4-carbonitrile,6-bromo-

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Name

1H-Indole-4-carbonitrile,6-bromo-

EINECS N/A
CAS No. 374633-26-8 Density 1.74 g/cm3
PSA 39.58000 LogP 2.80208
Solubility N/A Melting Point N/A
Formula C9H5BrN2 Boiling Point 379.8 °C at 760 mmHg
Molecular Weight 221.05 Flash Point 183.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 374633-26-8 (6-BROMO-4-CYANOINDOLE) Hazard Symbols N/A
Synonyms

6-BROMO-4-CYANOINDOLE;1H-Indole-4-carbonitrile, 6-broMo-;6-BroMo-1H-indole-4-carbonitrile

 

1H-Indole-4-carbonitrile,6-bromo- Specification

The 1H-Indole-4-carbonitrile,6-bromo- is an organic compound with the formula C9H5BrN2. The systematic name of this chemical is 6-bromo-1H-indole-4-carbonitrile. With the CAS registry number 374633-26-8, it is also named as 6-Bromo-4-cyanoindole.

Physical properties about 1H-Indole-4-carbonitrile,6-bromo- are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 39.58 Å2; (7)Index of Refraction: 1.726; (8)Molar Refractivity: 50.52 cm3; (9)Molar Volume: 127 cm3; (10)Polarizability: 20.02×10-24cm3; (11)Surface Tension: 72.2 dyne/cm; (12)Density: 1.74 g/cm3; (13)Flash Point: 183.5 °C; (14)Enthalpy of Vaporization: 62.79 kJ/mol; (15)Boiling Point: 379.8 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(Br)cc2nccc12
(2)InChI: InChI=1/C9H5BrN2/c10-7-3-6(5-11)8-1-2-12-9(8)4-7/h1-4,12H
(3)InChIKey: ZGACZDHTHZGXJB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H5BrN2/c10-7-3-6(5-11)8-1-2-12-9(8)4-7/h1-4,12H
(5)Std. InChIKey: ZGACZDHTHZGXJB-UHFFFAOYSA-N

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