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4-(Cyanomethyl)benzeneboronic acid pinacol ester Structure

4-(Cyanomethyl)benzeneboronic acid pinacol ester

  • Product Name4-(Cyanomethyl)benzeneboronic acid pinacol ester
  • CAS138500-86-4
  • CBNumberCB1453948
  • MFC14H18BNO2
  • MW243.11
  • EINECS677-797-2
  • MDL NumberMFCD02179459
  • MOL File138500-86-4.mol

Chemical Properties

Melting point: 68-72°C
Boiling point: 369.3±25.0 °C(Predicted)
Density  1.05±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  solid
Appearance Off-white to light yellow Solid
InChI 1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-11(6-8-12)9-10-16/h5-8H,9H2,1-4H3
InChIKey URWMFRYGXSHPRV-UHFFFAOYSA-N
SMILES CC(C(C)(C)O1)(C)OB1C2=CC=C(CC#N)C=C2
CAS DataBase Reference 138500-86-4(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280f
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36/37/39
RIDADR  3439
WGK Germany  WGK 3
HazardClass  6.1
PackingGroup  III
HS Code  2931900090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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