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Coumarin 30 Structure

Coumarin 30

Chemical Properties

Melting point 225-229 °C (lit.)
Boiling point 588.0±60.0 °C(Predicted)
Density  1.22±0.1 g/cm3(Predicted)
storage temp.  Store at room temperature
form  powder to crystal
pka 4.70±0.10(Predicted)
color  Light yellow to Yellow to Green
Appearance Yellow Solid
λmax 408nm(CH3CN)(lit.)
InChI 1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChIKey KZFUMWVJJNDGAU-UHFFFAOYSA-N
SMILES CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C
EPA Substance Registry System 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)- (41044-12-6)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  36/37/38-20/21/22
Safety Statements  37/39-26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  29322010
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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