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3-Amino-5-nitrobenzotrifluoride Structure

3-Amino-5-nitrobenzotrifluoride

  • Product Name3-Amino-5-nitrobenzotrifluoride
  • CAS401-94-5
  • CBNumberCB2170332
  • MFC7H5F3N2O2
  • MW206.12
  • MDL NumberMFCD00061229
  • MOL File401-94-5.mol

Chemical Properties

Melting point: 77-81°C
Boiling point: 280.7±40.0 °C(Predicted)
Density  1.503±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
pka 1.08±0.10(Predicted)
Appearance Light yellow to yellow Solid
InChI InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
InChIKey LTVWXWWSCLXXAT-UHFFFAOYSA-N
SMILES C1(N)=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
CAS DataBase Reference 401-94-5(CAS DataBase Reference)

Safety

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Warning
Hazard statements  H302-H311-H315-H319-H332
Precautionary statements  P280h-P305+P351+P338-P309-P310
Hazard Codes  Xi,Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36/37/39-36
RIDADR  2811
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  Ⅲ
HS Code  2921420090
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
0
3 0

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3-Amino-5-nitrobenzotrifluoride Spectrum