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HomeProduct name list7-Ethylindole

7-Ethylindole

  • CAS NO.:22867-74-9
  • Empirical Formula: C10H11N
  • Molecular Weight: 145.2
  • MDL number: MFCD00143514
  • EINECS: 682-584-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-03-05 09:49:26
7-Ethylindole Structural

What is 7-Ethylindole?

Chemical properties

clear yellow to red-brown liquid

The Uses of 7-Ethylindole

7-Ethylindole is a useful intermediate for etodolac derivative synthesis. It is also used in preparation of benzoheterocycles using butoxy-dihydrofurans as [4+2] benzannulation reagents.

What are the applications of Application

7-Ethylindole serves as a crucial intermediate for producing pharmaceutical agents. It represents a new addition to the liquid organic hydrogen carrier (LOHC) family, known as 7-ethylindole (7-EID). With a low melting point of -14 °C and a substantial hydrogen content of 5.23 wt%, it stands out among its counterparts. The hydrogenation process of this compound utilized a commercial 5 wt% Ru/Al2O3 catalyst under H2 pressure ranging from 5–8 MPa and temperatures ranging from 120–160 °C. It was observed that the hydrogenation rate correlates positively with the reaction temperature. However, the effect of H2 pressure on the rate was minimal if the pressure exceeded 6 MPa. Complete dehydrogenation of 8H-7-EID to 7-EID was achieved within 270 minutes at 190 °C. The liberated H2 exhibited high purity, meeting the requirements of proton exchange membrane fuel cells[1].

References

[1] Zhiwen Chen. “7-ethylindole: A new efficient liquid organic hydrogen carrier with fast kinetics.” International Journal of Hydrogen Energy 43 28 (2018): Pages 12688-12696.

Properties of 7-Ethylindole

Melting point: 82.5°C (estimate)
Boiling point: 230 °C
Density  1.058 g/mL at 20 °C(lit.)
refractive index  n20/D 1.603
Flash point: 230°C
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Oil
pka 17.30±0.30(Predicted)
Specific Gravity 1.058
color  Clear Colorless to Light Brown
Water Solubility  INSOLUBLE
BRN  1238356
InChI InChI=1S/C10H11N/c1-2-8-4-3-5-9-6-7-11-10(8)9/h3-7,11H,2H2,1H3
CAS DataBase Reference 22867-74-9(CAS DataBase Reference)

Safety information for 7-Ethylindole

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 7-Ethylindole

InChIKey PIIZLMYXLGYWTN-UHFFFAOYSA-N
SMILES N1C2=C(C=CC=C2CC)C=C1

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