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Ethopabate Structure

Ethopabate

  • Product NameEthopabate
  • CAS59-06-3
  • CBNumberCB1307306
  • MFC12H15NO4
  • MW237.25
  • EINECS200-414-3
  • MDL NumberMFCD00075809
  • MOL File59-06-3.mol

Chemical Properties

Melting point: 148-151 °C
Boiling point: 426.1±35.0 °C(Predicted)
Density  1.180±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO: 50 mg/mL (210.75 mM)
form  A solid
pka 14.12±0.70(Predicted)
color  White to off-white
Merck  13,3781
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey GOVWOKSKFSBNGD-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC=C(NC(C)=O)C=C1OCC
CAS DataBase Reference 59-06-3(CAS DataBase Reference)
EPA Substance Registry System Ethopabate (59-06-3)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H319
Precautionary statements  P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
HS Code  2924296000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
NFPA 704:
0
2 0

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