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4-Hydroxy-3-nitrocoumarin Structure

4-Hydroxy-3-nitrocoumarin

Chemical Properties

Melting point 172 °C (dec.) (lit.)
Boiling point 364.5±42.0 °C(Predicted)
Density  1.63±0.1 g/cm3(Predicted)
storage temp.  2-8°C, stored under nitrogen
form  powder to crystal
pka 4.50±1.00(Predicted)
color  White to Yellow to Green
λmax 329nm(EtOH(50vol%))(lit.)
BRN  1247343
InChI 1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
InChIKey NZQAQAUWFHMVEM-UHFFFAOYSA-N
SMILES OC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
CAS DataBase Reference 20261-31-8(CAS DataBase Reference)

Safety Information

Hazard Codes  T
Risk Statements  25
Safety Statements  26-36/37/39-45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HS Code  2932.20.4500
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

MSDS

Usage And Synthesis

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