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5-Bromoindole

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5-Bromoindole Basic information

Product Name:
5-Bromoindole
Synonyms:
  • 5-BROMOINDOLE
  • 5-BI
  • 5-BROMO-1H-INDOLE
  • 5-Bromindole
  • 5-bromonindole
  • 5-Bromide indole
  • Bromoindole-99%
  • 5-Bromoindole99%
CAS:
10075-50-0
MF:
C8H6BrN
MW:
196.04
EINECS:
233-208-7
Product Categories:
  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
  • Organohalides
  • Simple Indoles
  • Pyrroles & Indoles
  • IndolesBuilding Blocks
  • Indole/indoline/oxindole
  • Indoles and derivatives
  • IndoleDerivative
  • Halides
  • Indoles
  • Pharmaceutical Intermediates
  • Indole Derivatives
  • Heterocycle-Indole series
  • blocks
  • Bromides
  • IndolesOxindoles
  • Pyrroles & Indoles
  • Indole
  • bc0001
Mol File:
10075-50-0.mol
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5-Bromoindole Chemical Properties

Melting point:
90-92 °C (lit.)
Boiling point:
228.5°C (rough estimate)
Density 
1.5466 (rough estimate)
refractive index 
1.6550 (estimate)
storage temp. 
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility 
126mg/l (calculated)
pka
16.04±0.30(Predicted)
form 
Powder or Chunks
color 
White to light brown
BRN 
112877
InChI
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
VXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES
N1C2=C(C=C(Br)C=C2)C=C1
CAS DataBase Reference
10075-50-0(CAS DataBase Reference)
EPA Substance Registry System
1H-Indole, 5-bromo- (10075-50-0)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-24/25-37/39
WGK Germany 
3
Hazard Note 
Irritant
HS Code 
29339990

MSDS

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5-Bromoindole Usage And Synthesis

Chemical Properties

white to light brown powder or chunks

Uses

A potential inhibitor of GSK-3

Purification Methods

Purify it by steam distillation from a faintly alkaline solution. Cool the aqueous distillate, collect the solid, dry it in a vacuum desiccator over P2O5 and recrystallise it from aqueous EtOH (35% EtOH) or pet ether/Et2O. UV in MeOH has at 279, 287 and 296nm (log 3.70, 3.69 and 3.53). The picrate has m 137-138o(dec) (from max Et2O/pet ether). [UV: Thesing et al. Chem Ber 95 2205 1962, UV and NMR: Lallemand & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 20/7 V 36.]

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