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3,3'-Diindolylmethane  Structure

3,3'-Diindolylmethane

Chemical Properties

Melting point 167 °C
Boiling point 230 °C(Press: 0.01 Torr)
Density  1.271±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Methanol (Slightly)
pka 16.91±0.30(Predicted)
form  Off-white powder.
color  White to Pale Beige
InChI InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKey VFTRKSBEFQDZKX-UHFFFAOYSA-N
SMILES C(C1C2=C(NC=1)C=CC=C2)C1C2=C(NC=1)C=CC=C2
LogP 4.401 (est)
CAS DataBase Reference 1968-05-4(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  22-24/25-26
WGK Germany  3
RTECS  NM0332000
HazardClass  IRRITANT
HS Code  29349990

Usage And Synthesis

Preparation Products And Raw materials

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