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5-Iodo-1H-indole

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Name

5-Iodo-1H-indole

EINECS N/A
CAS No. 16066-91-4 Density 1.961 g/cm3
PSA 15.79000 LogP 2.77250
Solubility N/A Melting Point 101-104 °C(lit.)
Formula C8H6IN Boiling Point 341.705 °C at 760 mmHg
Molecular Weight 243.047 Flash Point 160.458 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16066-91-4 (5-IODOINDOLE) Hazard Symbols IrritantXi
Synonyms

Indole,5-iodo- (6CI,7CI,8CI);5-Iodoindole;

Article Data 17

5-Iodo-1H-indole Specification

The 5-Iodo-1H-indole, with the cas registry number 16066-91-4, is also called 5-Indoindole. It is a kind of light sensitive chemical, and its product categories are various, including blocks; Indoles Oxindoles; Iodides; Indoles and derivatives; Halides; Pyrroles & Indoles; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles; IndolesBuilding Blocks. The molecular formula of the chemical is C8H6IN.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 152.18; (6)ACD/BCF (pH 7.4): 152.18; (7)ACD/KOC (pH 5.5): 1269.82; (8)ACD/KOC (pH 7.4): 1269.82; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.768; (14)Molar Refractivity: 51.43 cm3; (15)Molar Volume: 123.9 cm3; (16)Polarizability: 20.39×10-24cm3; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.96 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 56.22 kJ/mol; (21)Boiling Point: 341.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000156 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1cc2c(cc1)ncc2
(2)InChI: InChI=1/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
(3)InChIKey: TVQLYTUWUQMGMP-UHFFFAOYAE

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