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| CAS No.: | 62108-16-1 |
|---|---|
| Name: | 4-Iodo-2,3-dihydro-1H-indole |
| Molecular Structure: | |
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| Formula: | C8H8IN |
| Molecular Weight: | 133.193 |
| Synonyms: | 2,3-Dihydro-4-methyl-1H-indole;4-METHYL-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE;4-METHYL-2,3-DIHYDRO-1H-INDOLE; |
| Density: | 1.793 g/cm3 |
| Melting Point: | 0.1 °C |
| Boiling Point: | 300.6 °C at 760 mmHg |
| Flash Point: | 135.6 °C |
| PSA: | 12.03000 |
| LogP: | 2.10100 |
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Specification
The 4-Iodo-2,3-dihydro-1H-indole is an organic compound with the formula C8H8IN. The systematic name of this chemical is 4-iodo-2,3-dihydro-1H-indole. With the CAS registry number 62108-16-1, it is also named as 4-Iodoindoline.
Physical properties about 4-Iodo-2,3-dihydro-1H-indole are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3.06; (3)ACD/LogD (pH 7.4): 3.09; (4)ACD/BCF (pH 5.5): 123.82; (5)ACD/BCF (pH 7.4): 131.7; (6)ACD/KOC (pH 5.5): 1076.28; (7)ACD/KOC (pH 7.4): 1144.72; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.653; (11)Molar Refractivity: 50.07 cm3; (12)Molar Volume: 136.6 cm3; (13)Polarizability: 19.84×10-24cm3; (14)Surface Tension: 49.2 dyne/cm; (15)Density: 1.793 g/cm3; (16)Flash Point: 135.6 °C; (17)Enthalpy of Vaporization: 54.07 kJ/mol; (18)Boiling Point: 300.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc2c1CCN2
(2)InChI: InChI=1/C8H8IN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
(3)InChIKey: ICRWMYXARVZGBS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8IN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
(5)Std. InChIKey: ICRWMYXARVZGBS-UHFFFAOYSA-N