80518-57-6

Name 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER
CAS 80518-57-6
Molecular Formula C13H18N2O2
MDL Number MFCD04973340
Molecular Weight 234.29
MOL File 80518-57-6.mol
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Chemical Properties

Melting point  102-105°C
Boiling point  388.9±27.0 °C(Predicted)
density  1.104±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
solubility  Chloroform, DMSO, Methanol
form  Solid
pka 8.82±0.10(Predicted)
color  Pale Yellow
InChI InChI=1S/C13H18N2O2/c1-2-17-13(16)11-3-5-12(6-4-11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
InChIKey OQEHTFFLOHTFSB-UHFFFAOYSA-N
SMILES C(OCC)(=O)C1=CC=C(N2CCNCC2)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335-H302
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements 
Hazard Note  Irritant
HS Code  2933599590
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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