571-92-6

Name 6-KETOESTRADIOL
CAS 571-92-6
EINECS(EC#) 206-141-6
Molecular Formula C18H22O3
MDL Number MFCD00056457
Molecular Weight 286.37
MOL File 571-92-6.mol
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Chemical Properties

Melting point  281-283 °C
Boiling point  478.9±45.0 °C(Predicted)
density  1.249±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 9.36±0.60(Predicted)
color  White to Off-White
biological source synthetic (organic)
BRN  3208779
InChI 1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1
InChIKey ZHTDDOWJIRXOMA-YVEZLPLXSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
CAS DataBase Reference 571-92-6

Safety Data

Safety Statements 
WGK Germany  3
REACH Registrations Active
HS Code  2937230000
Storage Class 11 - Combustible Solids

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