41826-92-0

Name Trepibutone
CAS 41826-92-0
Molecular Formula C16H22O6
MDL Number MFCD00865221
Molecular Weight 310.34
MOL File 41826-92-0.mol
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Chemical Properties

Melting point  150-151°
Boiling point  370.51°C (rough estimate)
density  1.1625 (rough estimate)
refractive index  1.4600 (estimate)
form  Solid
pka 4.40±0.17(Predicted)
color  White to off-white
InChI InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKey YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES C1(C(=O)CCC(=O)O)=CC(=C(OCC)C=C1OCC)OCC
CAS DataBase Reference 41826-92-0(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

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