4-(1H-Indol-3-yl)butan-2-one Structure

4-(1H-Indol-3-yl)butan-2-one

Chemical Properties

Melting point 94 °C
Boiling point 356.1±17.0 °C(Predicted)
Density  1.136±0.06 g/cm3(Predicted)
storage temp.  Store at room temperature
pka 17.13±0.30(Predicted)
form  solid
Appearance White to off-white Solid
InChI 1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChIKey ZJCUUXGLZWBCIL-UHFFFAOYSA-N
SMILES CC(=O)CCc1c[nH]c2ccccc12
Comptox DTXSID DTXSID20289375
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes  Xi
WGK Germany  3
Hazard Note  Irritant
HS Code  2933990099
Storage Class 11 - Combustible Solids

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