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CAS No.: | 38693-08-2 |
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Name: | 2-CHLORO-1-(2-METHYL-1H-INDOL-3-YL)-ETHANONE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C11H10ClNO |
Molecular Weight: | 207.659 |
Synonyms: | 2-chloro-1-(2-methyl-1H-indol-3-yl)-1-ethanone;2-chloro-1-(2-methyl-1H-indol-3-yl)-1-ethanone (IM OCS); |
Density: | 1.289 g/cm3 |
Boiling Point: | 383.5 °C at 760 mmHg |
Flash Point: | 185.7 °C |
PSA: | 32.86000 |
LogP: | 2.89780 |
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The 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone is an organic compound with the formula C11H10ClNO. The IUPAC name of this chemical is 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone. With the CAS registry number 38693-08-2, it is also named as 1-ethanone, 2-chloro-1-(2-methyl-1H-indol-3-yl)-.
Physical properties about 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone are: (1)ACD/LogP: 2.70; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 22 Å2; (6)Index of Refraction: 1.642; (7)Molar Refractivity: 58.23 cm3; (8)Molar Volume: 161 cm3; (9)Polarizability: 23.08×10-24cm3; (10)Surface Tension: 51.7 dyne/cm; (11)Density: 1.289 g/cm3; (12)Flash Point: 185.7 °C; (13)Enthalpy of Vaporization: 63.2 kJ/mol; (14)Boiling Point: 383.5 °C at 760 mmHg; (15)Vapour Pressure: 4.38E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-indole and chloroacetyl chloride. This reaction is a kind of Acylation. This reaction will need reagent AlCl3 and solvent CH2Cl2.
Uses of 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone: it can be used to produce 1-(2-methyl-1H-indol-3-yl)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethylsulfanyl]-ethanone at temperature of 80 - 90 °C. It will need reagent sodium sulfide nonahydrate and solvent dimethylformamide with reaction time of 3 hours. The yield is about 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)c2c1ccccc1nc2C
(2)InChI: InChI=1/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
(3)InChIKey: GEACTTPEMXZJFB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
(5)Std. InChIKey: GEACTTPEMXZJFB-UHFFFAOYSA-N