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CAS No.: | 15861-23-1 |
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Name: | 5-CYANO-2,3-DIHYDRO-1H-INDOLE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H8N2 |
Molecular Weight: | 144.176 |
Synonyms: | 5-Indolinecarbonitrile(8CI);2,3-Dihydro-1H-indole-5-carbonitrile;5-Cyanoindoline; |
Density: | 1.189 g/cm3 |
Boiling Point: | 304.421 °C at 760 mmHg |
Flash Point: | 137.909 °C |
Safety: | 24/25 |
PSA: | 35.82000 |
LogP: | 1.66428 |
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The 1H-Indole-5-carbonitrile,2,3-dihydro- is an organic compound with the formula C9H8N2. The systematic name of this chemical is 2,3-Dihydro-1H-indole-5-carbonitrile. With the CAS registry number 15861-23-1, it is also named as Indoline-5-carbonitrile. Besides, its molecular weight is 144.17.
Physical properties about 1H-Indole-5-carbonitrile,2,3-dihydro- are: (1)ACD/LogP: 0.40; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 167; (7)ACD/KOC (pH 7.4): 167; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 35.82 Å2; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 42.179 cm3; (13)Molar Volume: 121.281 cm3; (14)Polarizability: 16.721×10-24 cm3; (15)Surface Tension: 53.73 dyne/cm; (16)Density: 1.189 g/cm3; (17)Flash Point: 137.909 °C; (18)Enthalpy of Vaporization: 54.479 kJ/mol; (19)Boiling Point: 304.421 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,11H,3-4H2
(2)InChIKey: KBNWGVBBEPQFIZ-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,11H,3-4H2
(4)Std. InChIKey: KBNWGVBBEPQFIZ-UHFFFAOYSA-N