855-96-9

Name 3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
CAS 855-96-9
EINECS(EC#) 663-133-9
Molecular Formula C18H16O7
MDL Number MFCD00016929
Molecular Weight 344.32
MOL File 855-96-9.mol
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Chemical Properties

Melting point  194-196°C
Boiling point  587.0±50.0 °C(Predicted)
density  1.387±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: >10mg/mL
form  powder
pka 6.31±0.40(Predicted)
color  white to beige
Water Solubility  Insoluble in water. Soluble in chloroform and methanol.
Merck  14,3901
BRN  1355109
InChI 1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
InChIKey KLAOKWJLUQKWIF-UHFFFAOYSA-N
SMILES COc1ccc(cc1O)C2=CC(=O)c3c(O)c(OC)c(OC)cc3O2
LogP 2.960 (est)
CAS DataBase Reference 855-96-9(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  1
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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