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Isobutyl 3,5-diamino-4-chloro benzoate Structure

Isobutyl 3,5-diamino-4-chloro benzoate

Chemical Properties

Melting point 86-90 °C(lit.)
Boiling point 390.1±37.0 °C(Predicted)
Density  1.252±0.06 g/cm3(Predicted)
vapor pressure  0-3Pa at 25-110℃
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
pka 1.75±0.10(Predicted)
form  Solid:particulate/powder
Appearance Gray to dark gray Solid
InChI InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3
InChIKey KHUIRIRTZCOEMK-UHFFFAOYSA-N
SMILES C(OCC(C)C)(=O)C1=CC(N)=C(Cl)C(N)=C1
LogP -0.97
CAS DataBase Reference 32961-44-7(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester (32961-44-7)

Safety Information

Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26
WGK Germany  3
TSCA  TSCA listed
HazardClass  IRRITANT

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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