1021088-79-8

Name (2-(benzyloxy)-5-bromophenyl)(pyrrolidin-1-yl)methanone
CAS 1021088-79-8
Molecular Formula C18H18BrNO2
MDL Number MFCD09838939
Molecular Weight 360.24
MOL File 1021088-79-8.mol

Chemical Properties

Boiling point  513.9±45.0 °C(Predicted)
density  1.398±0.06 g/cm3(Predicted)
form  solid
pka -1.42±0.20(Predicted)
InChI 1S/C18H18BrNO2/c19-15-8-9-17(22-13-14-6-2-1-3-7-14)16(12-15)18(21)20-10-4-5-11-20/h1-3,6-9,12H,4-5,10-11,13H2
InChIKey BUNULSRLMDGOTI-UHFFFAOYSA-N
SMILES BrC1=CC=C(OCC2=CC=CC=C2)C(C(N3CCCC3)=O)=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

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