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3-Amino-3-(3,4-dichloro-phenyl)-propionic acid Structure

3-Amino-3-(3,4-dichloro-phenyl)-propionic acid

  • Product Name3-Amino-3-(3,4-dichloro-phenyl)-propionic acid
  • CAS117391-57-8
  • CBNumberCB3459489
  • MFC9H9Cl2NO2
  • MW234.08
  • MDL NumberMFCD00462884
  • MOL File117391-57-8.mol

Chemical Properties

Melting point: 224-226°C
Boiling point: 371.9±42.0 °C(Predicted)
Density  1.447±0.06 g/cm3(Predicted)
storage temp.  Store at Room Tem.
pka 3.54±0.10(Predicted)
form  solid
InChI 1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKey ACJWNKAQMZQVBW-UHFFFAOYSA-N
SMILES NC(CC(O)=O)C(C=C1)=CC(Cl)=C1Cl
CAS DataBase Reference 117391-57-8(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2922499990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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