1162-56-7

Name Pregna-4,6-diene-3,20-dione
CAS 1162-56-7
EINECS(EC#) 1533716-785-6
Molecular Formula C21H28O2
MDL Number MFCD00199858
Molecular Weight 312.45
MOL File 1162-56-7.mol
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Chemical Properties

Melting point  147-148 °C(Solv: hexane (110-54-3))
Boiling point  462.8±45.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  neat
color  White to Off-White
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey JGMOKGBVKVMRFX-LEKSSAKUSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
CAS DataBase Reference 1162-56-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  2937230000

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