CAS No.17422-33-2,6-Chloroindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17422-33-2
Name:	6-Chloroindole
Article Data:	43

Formula:	C₈H₆ClN
Molecular Weight:	151.595
Synonyms:	6-Chloro-1H-indole;
EINECS:	241-449-4
Density:	1.331 g/cm³
Melting Point:	87-90 °C(lit.)
Boiling Point:	293 °C at 760 mmHg
Flash Point:	158.9 °C
Solubility:	slightly soluble in water
Appearance:	light orange powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-37/39-26-36
PSA:	15.79000
LogP:	2.82130

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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