50-50-0

Name Estradiol benzoate
CAS 50-50-0
EINECS(EC#) 200-043-7
Molecular Formula C25H28O3
MDL Number MFCD00003692
Molecular Weight 376.49
MOL File 50-50-0.mol
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Chemical Properties

Melting point  191-198 °C(lit.)
alpha  D25 +58 to +63° (c = 2 in dioxane)
Boiling point  465.03°C (rough estimate)
density  1.0493 (rough estimate)
refractive index  1.5460 (estimate)
storage temp.  2-8°C
solubility  Practically insoluble in water, freely soluble in methylene chloride, sparingly soluble in acetone, slightly soluble in methanol.
form  neat
pka 15.06±0.40(Predicted)
color  White
Water Solubility  0.4mg/L(25 ºC)
Merck  3703
BRN  3107526
InChIKey UYIFTLBWAOGQBI-BZDYCCQFSA-N
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OC(=O)c5ccccc5)ccc24
CAS DataBase Reference 50-50-0(CAS DataBase Reference)
NIST Chemistry Reference Estradiol benzoate(50-50-0)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Danger
Hazard statements  H351-H360FD
Precautionary statements  P201-P202-P280-P308+P313-P405-P501
Hazard Codes  T
Risk Statements 
R60:May impair fertility.
R61:May cause harm to the unborn child.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
WGK Germany  3
RTECS  KG4050000
F  8
HS Code  29372319
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Carc. 2
Repr. 1B
Safety Profile
Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Human reproductive effects by intramuscular route: menstrual cycle changes and disorders. Experimental reproductive effects. Mutation data reported. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTRADIOL.
Hazardous Substances Data 50-50-0(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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