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6-Chloroindole

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Name

6-Chloroindole

EINECS 241-449-4
CAS No. 17422-33-2 Density 1.331 g/cm3
PSA 15.79000 LogP 2.82130
Solubility slightly soluble in water Melting Point 87-90 °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 light orange powder
Safety 22-24/25-37/39-26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17422-33-2 (6-Chloroindole) Hazard Symbols IrritantXi
Synonyms

6-Chloro-1H-indole;

Article Data 43

6-Chloroindole Specification

The IUPAC name of 6-Chloro-1H-indole is 6-chloro-1H-indole. With the CAS registry number 17422-33-2, it is also named as 6-Chloroindole. The product's categories are Indole; Indoles Oxindoles; Indole/Indoline/Oxindole; Indole and Indoline; Indoles and Derivatives; Indoles; Simple Indoles; Indole Derivatives; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles Building Blocks. Besides, it is light orange powder, which should be stored in closed, dark, ventilated and dry place. In addition, its molecular formula is C8H6ClN and molecular weight is 151.59.

The other characteristics of this product can be summarized as: (1)EINECS: 241-449-4; (2)ACD/LogP: 2.74; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.74; (5)ACD/LogD (pH 7.4): 2.74; (6)ACD/BCF (pH 5.5): 70.88; (7)ACD/BCF (pH 7.4): 70.88; (8)ACD/KOC (pH 5.5): 734.86; (9)ACD/KOC (pH 7.4): 734.86; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 43.42 cm3; (15)Molar Volume: 113.8 cm3; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.331 g/cm3; (18)Flash Point: 158.9 °C; (19)Melting Point: 88-91 °C; (20)Enthalpy of Vaporization: 51.13 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.00309 mmHg at 25 °C.

Preparation of 6-Chloro-1H-indole: this chemical can be prepared by 2-(4-Chlor-2-nitroanilino)ethanol.



This reaction needs H2, Rh/C-RuCl2(PPh3)3 and Toluene by refluxing for 6 hours. The yield is 88 %.

Uses of 6-Chloro-1H-indole: it can react with Dimethyldisulfane to get 6-Chloro-(3-thiomethyl)-indole.



This reaction needs Methylmagnesium bromide, Zinc chloride and Diethyl ether. The yield is 54 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes. Moreover,  please do not breathe dust.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC2=C1C=CN2)Cl
(2)InChI: InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
(3)InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N

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