20261-31-8

Name 4-HYDROXY-3-NITROCOUMARIN
CAS 20261-31-8
Molecular Formula C9H5NO5
MDL Number MFCD00051671
Molecular Weight 207.14
MOL File 20261-31-8.mol
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Chemical Properties

Appearance yellow to tan crystalline powder
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 Data

Hazard Codes  T
Risk Statements 
Safety Statements 
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

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