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Alfacalcidol Structure

Alfacalcidol

Chemical Properties

Melting point 134-136°C
Boiling point 531.5±50.0 °C(Predicted)
Density  1.01±0.1 g/cm3(Predicted)
storage temp.  −20°C
solubility  Practically insoluble in water, freely soluble in ethanol (96 per cent), soluble in fatty oils.
form  White crystalline solid
pka 14.43±0.40(Predicted)
color  White to Almost white
λmax 264nm(Diethyl ether)(lit.)
Merck  14,4819
Stability Light Sensitive
InChIKey OFHCOWSQAMBJIW-GITLSTMWSA-N
SMILES [C@@H]1(O)CC(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCC(C)C)C(=C)[C@H](O)C1
CAS DataBase Reference 41294-56-8(CAS DataBase Reference)
FDA UNII URQ2517572
ATC code A11CC03
EPA Substance Registry System Alphacalcidol (41294-56-8)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H300
Precautionary statements P301+P310+P330
Hazard Codes  T+,Xi
Risk Statements  26/27/28-36/37/38
Safety Statements  28-36/37-45-36-26
RIDADR  UN 2811 6.1/PG 1
WGK Germany  3
RTECS  VS2851000
8-10
HazardClass  6.1(a)
PackingGroup  I
HS Code  29361000
NFPA 704:
0
4 0

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