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5-Chloroindole

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Name

5-Chloroindole

EINECS 241-448-9
CAS No. 17422-32-1 Density 1.331 g/cm3
PSA 15.79000 LogP 2.82130
Solubility N/A Melting Point 69-71 °C(lit.)
Formula C8H6ClN Boiling Point 293 °C at 760 mmHg
Molecular Weight 151.595 Flash Point 158.9 °C
Transport Information N/A Appearance White to slightly greyish-green crystalline powder
Safety 22-24/25-36-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 17422-32-1 (5-Chloroindole) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

5-chloro-1H-indole;1H-Indole, 5-chloro-;1H-Indole, 5-chloro- (9CI);5-Chloroindole99%;5-Chloro Indole;

Article Data 60

5-Chloroindole Specification

The CAS register number of 6-Chloroindole is 17422-32-1. It also can be called as 1H-Indole, 5-chloro- and the IUPAC name about this chemical is 5-chloro-1H-indole. The molecular formula about this chemical is C8H6ClN and the molecular weight is 151.59. It belongs to the following product categories, such as Indole; blocks; IndolesOxindoles; Indole/indoline/oxindole; Indole and Indoline; Indoles and derivatives; IndoleDerivative; Halides; Pyrroles & Indoles; Indoles; Simple Indoles; Pyrroles & Indoles; Halogenated Heterocycles; Heterocyclic Building Blocks; IndolesBuilding Blocks and so on. This chemical is stable under normal temperatures and pressures, you need avoid contact with Oxidizing agents. If you want to store this chemical, please keep it  in a tightly closed container and store it in a cool, dry, well-ventilated area away from incompatible substances.

Physical properties about 6-Chloroindole are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 98.83; (5)ACD/BCF (pH 7.4): 98.83; (6)ACD/KOC (pH 5.5): 932.32; (7)ACD/KOC (pH 7.4): 932.32; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 4.93Å2; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 43.42 cm3; (13)Molar Volume: 113.8 cm3; (14)Polarizability: 17.21x10-24cm3; (15)Surface Tension: 52.6 dyne/cm; (16)Enthalpy of Vaporization: 51.13 kJ/mol; (17)Boiling Point: 293 °C at 760 mmHg; (18)Vapour Pressure: 0.00309 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-chloro-1-(toluene-4-sulfonyl)-indole. This reaction will need reagent 20percent aq. NaOH and solvent methanol. The reaction time is 12 hour(s) at heating. The yield is about 75%.

Uses of 6-Chloroindole: it can be used to produce 5-chloro-3-[2-(4-pyridyl)ethyl]indole with 4-vinyl-pyridine at heating. This reaction will need reagent acetic acid with reaction time of 5 hours. The yield is about 63%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, you also need do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2
(2)InChI: InChI=1/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
(3)InChIKey: MYTGFBZJLDLWQG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
(5)Std. InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N

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