1801503-93-4

Name BET-IN-4
CAS 1801503-93-4
Molecular Formula C22H21N3O3
MDL Number MFCD32062736
Molecular Weight 375.42
MOL File 1801503-93-4.mol
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Chemical Properties

Boiling point  529.0±50.0 °C(Predicted)
density  1.232±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 10 mg/mL (26.64 mM; ultrasonic and warming and heat to 60°C)
form  Solid
pka 4.36±0.12(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C22H21N3O3/c1-13-9-16-10-18(21-14(2)24-28-15(21)3)20(27-4)11-19(16)25(22(13)26)12-17-7-5-6-8-23-17/h5-11H,12H2,1-4H3
InChIKey YVGWSVHZXWFLIT-UHFFFAOYSA-N
SMILES N1(CC2=NC=CC=C2)C2=C(C=C(C3=C(C)ON=C3C)C(OC)=C2)C=C(C)C1=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Hazard Information

Spectrum Detail

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