6151-25-3

Name Quercetin dihydrate
CAS 6151-25-3
EINECS(EC#) 204-187-1
Molecular Formula C15H14O9
MDL Number MFCD00149487
Molecular Weight 338.27
MOL File 6151-25-3.mol
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Chemical Properties

Melting point  >300 °C(lit.)
density  1.680 g/cm3
storage temp.  -20°C
solubility  Soluble in DMSO > 10 mM
Colour Index  75670
form  Yellow solid
color  Yellow
Water Solubility  practically insoluble
Merck  14,8034
BRN  317313
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
InChIKey GMGIWEZSKCNYSW-UHFFFAOYSA-N
SMILES C1(C2=CC=C(O)C(O)=C2)OC2=C(C(=CC(=C2)O)O)C(=O)C=1O.[H]O[H].[H]O[H]
LogP 2.075 (est)
CAS DataBase Reference 6151-25-3(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R25:Toxic if swallowed.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S53:Avoid exposure-obtain special instruction before use .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  LK8950000
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29329900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
Toxicity
LD50 orally in mice: 160 mg/kg (Sullivan)

Hazard Information

Material Safety Data Sheet(MSDS)

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