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Home > Encyclopedia > 4-Chloro-5-fluoro-1H-indole

4-Chloro-5-fluoro-1H-indole

4-Chloro-5-fluoro-1H-indole structure

4-Chloro-5-fluoro-1H-indole 

structure
  • CAS No:

    169674-02-6

  • Formula:

    C8H5ClFN

  • Chemical Name:

    4-Chloro-5-fluoro-1H-indole

  • Synonyms:

    1H-Indole,4-chloro-5-fluoro-;4-Chloro-5-fluoro-1H-indole;4-Chloro-5-fluoroindole

4-Chloro-5-fluoro-1H-indole Basic Attributes

169.58

169.58

DTXSID90469344

Characteristics

15.8

2.8

1.436

21-22 °C @ Solvent: Hexane

300 ºC

135 ºC

1.657

0.002mmHg at 25°C

4-Chloro-5-fluoro-1H-indole Use and Manufacturing

A solution of tetrabutylammonium fluoride hydrate (1.9 g, 7.38 mmol) and compound 2 (1.2 g, 3.69 mmol) in THF (30 mL) was stirred for 30 min at room temperature. The mixture was diluted with diethyl ether (30 mL), washed with brine (30 mL), dried with sodium sulfate, filtered, and concentrated in vacuo. Purification by column chromatography (PE/EA=50:1) provided compound 3 (0.5 g, 80.1percent) as a brown oil.

Computed Properties

Molecular Weight:169.58
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:169.0094550
Monoisotopic Mass:169.0094550
Topological Polar Surface Area:15.8
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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