479-13-0

Name COUMESTROL
CAS 479-13-0
EINECS(EC#) 207-525-6
Molecular Formula C15H8O5
MDL Number MFCD00016885
Molecular Weight 268.22
MOL File 479-13-0.mol

Chemical Properties

Appearance Yellow to Beige Powder
Melting point  ≥350 °C(lit.)
Boiling point  331.39°C (rough estimate)
density  1.2586 (rough estimate)
refractive index  1.7680 (estimate)
storage temp.  Refrigerator
solubility  DMSO: soluble
form  Light beige solid.
pka 8.25±0.20(Predicted)
color  Pale Yellow to Dark Brown
Usage This compound has estrogenic activity. It exhibits bright blue fluorescence in neutral or acid solution, and greenish-yellow fluorescence in strong alkali solution
BRN  266702
InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES C1(=O)OC2=CC(O)=CC=C2C2OC3=CC(O)=CC=C3C1=2
LogP 2.940 (est)
CAS DataBase Reference 479-13-0(CAS DataBase Reference)
EPA Substance Registry System Coumestrol (479-13-0)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
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 .
WGK Germany  3
RTECS  DF8077000
10
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Information

Spectrum Detail

Well-known Reagent Company Product Information

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