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62108-16-1

Basic Information
CAS No.: 62108-16-1
Name: 4-Iodo-2,3-dihydro-1H-indole
Article Data: 21
Molecular Structure:
Molecular Structure of 62108-16-1 (4-Iodo-2,3-dihydro-1H-indole)
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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  • 62108-16-1 4-IODO-2,3-DIHYDRO-1H-INDOLE C8H8IN

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  • 4-Iodoindoline  CAS NO.62108-16-1

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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