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Indole-3-carbinol Structure

Indole-3-carbinol

Chemical Properties

Melting point 96-99 °C (lit.)
Boiling point 267.28°C (rough estimate)
Density  1.1135 (rough estimate)
refractive index  1.5670 (estimate)
storage temp.  2-8°C
solubility  soluble in Methanol
form  Crystalline Powder or Flakes
pka 15.10±0.10(Predicted)
color  Off-white to yellow-orange
BRN  121323
Stability 2-80C
InChI InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKey IVYPNXXAYMYVSP-UHFFFAOYSA-N
SMILES N1C2=C(C=CC=C2)C(CO)=C1
LogP 1.366 (est)
CAS DataBase Reference 700-06-1(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26-36
WGK Germany  3
RTECS  NL9483000
Hazard Note  Irritant
HS Code  29339900

MSDS

Usage And Synthesis

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