3-CYANOCOUMARIN Structure

3-CYANOCOUMARIN

Chemical Properties

Melting point 184-188 °C (lit.)
Boiling point 350.7±21.0 °C(Predicted)
Density  1.34±0.1 g/cm3(Predicted)
storage temp.  Store at room temperature
form  powder to crystal
color  White to Light orange to Yellow
λmax 358nm(DMSO)(lit.)
InChI 1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
InChIKey QKJALQPLNMEDAV-UHFFFAOYSA-N
SMILES O=C1Oc2ccccc2C=C1C#N
CAS DataBase Reference 15119-34-3(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
WGK Germany  3
RTECS  DJ2218100
HS Code  2932209090
Storage Class 11 - Combustible Solids
NFPA 704:
1
0 0

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