53518-18-6

Name Coumarin 153
CAS 53518-18-6
EINECS(EC#) 258-600-5
Molecular Formula C16H14F3NO2
MDL Number MFCD00041843
Molecular Weight 309.28
MOL File 53518-18-6.mol

Chemical Properties

Appearance yellow crystalline powder
Melting point  164-168 °C(lit.)
Boiling point  447.3±45.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  powder to crystal
pka 5.16±0.40(Predicted)
color  Light yellow to Yellow to Orange
Stability: Stable. Incompatible with strong oxidizing agents.
λmax 422 nm (lit.)
422 nm
BRN  3624201
InChI InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
InChIKey VSSSHNJONFTXHS-UHFFFAOYSA-N
SMILES C12=C3OC(=O)C=C(C(F)(F)F)C3=CC3=C1N(CCC3)CCC2
EPA Substance Registry System 1H,5H,11H-[1]Benzopyrano[ 6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)- (53518-18-6)

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
10
TSCA  TSCA listed
HS Code  29322010
Storage Class 13 - Non Combustible Solids

Hazard Information

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