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285979-79-5

Name Equilin-d4
CAS 285979-79-5
Molecular Formula C18H16D4O2
MDL Number MFCD01074212
Molecular Weight 272.37
MOL File 285979-79-5.mol
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Chemical Properties

Melting point  238-240 °C(lit.)
storage temp.  Refrigerator
solubility  Dioxane (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
form  Solid
color  White to Off-White
Optical Rotation [α]25/D 325°, c = 2 in ethanol
InChI 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D
InChIKey WKRLQDKEXYKHJB-DLIXUXMWSA-N
SMILES [2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)C3=CCc2c([2H])c1O
EPA Substance Registry System Estra-1,3,5(10),7-tetraen-17-one-2,4,16,16-d4, 3-hydroxy- (285979-79-5)

Safety Data

Symbol(GHS) 
GHS08
Signal word  Warning
Hazard statements  H351-H361
Precautionary statements  P201-P202-P280-P308+P313-P405-P501
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Carc. 2
Repr. 2

Hazard Information

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