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3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile Structure

3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile

  • Product Name3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile
  • CAS35249-62-8
  • CBNumberCB9948466
  • MFC11H12BrNO2
  • MW270.12
  • EINECS609-105-1
  • MDL NumberMFCD00100650
  • MOL File35249-62-8.mol

Chemical Properties

Density  1.59 at 20℃
vapor pressure  0Pa at 25℃
storage temp.  2-8°C
form  Solid:crystalline
Appearance White to off-white Solid
Crystal Structure Tetragonal, P42bc
Lattice constant a = 17.552 (3) Å, b = 17.552 (3) Å, c = 7.4870 (15) Å, V = 2306.5 (7) Å3, Z = 8
InChI InChI=1S/C11H12BrNO2/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7H,3-4H2,1-2H3
InChIKey PKRKQYZQPMFUJG-UHFFFAOYSA-N
SMILES C1(CCC#N)=CC(OC)=C(OC)C=C1Br
LogP 1.98 at 30℃ and pH7

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code  2926909090
REACH Registrations Active

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