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3-Bromo-4,5-dimethoxy-benzonitrile Structure

3-Bromo-4,5-dimethoxy-benzonitrile

  • Product Name3-Bromo-4,5-dimethoxy-benzonitrile
  • CAS781654-31-7
  • CBNumberCB2668178
  • MFC9H8BrNO2
  • MW242.07
  • MDL NumberMFCD02256494
  • MOL File781654-31-7.mol

Chemical Properties

Melting point: 117 °C
Boiling point: 291.1±40.0 °C(Predicted)
Density  1.53±0.1 g/cm3(Predicted)
storage temp.  Store at room temperature
form  solid
Appearance White to off-white Solid
InChI 1S/C9H8BrNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,1-2H3
InChIKey PTCVIEQABWPBTA-UHFFFAOYSA-N
SMILES Brc1c(c(cc(c1)C#N)OC)OC

Safety

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H302-H312-H315-H319-H331-H335
Precautionary statements  P261-P280-P304+P340-P305+P351+P338-P405-P501a
RIDADR  UN3439
WGK Germany  WGK 3
HazardClass  6.1
PackingGroup  III
HS Code  2926909090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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3-Bromo-4,5-dimethoxy-benzonitrile Spectrum