850568-67-1

Name 2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE
CAS 850568-67-1
Molecular Formula C10H12BNO2
MDL Number MFCD06659832
Molecular Weight 189.02
MOL File 850568-67-1.mol
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Chemical Properties

Melting point  146-148
Boiling point  370.0±44.0 °C(Predicted)
density  1.13±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  solid
pka 8.34±0.16(Predicted)
Appearance White to off-white Solid
Water Solubility  Soluble in water. [9 g/100 mL (20°C)]
InChI 1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3
InChIKey BNXBFDTWYHAEIR-UHFFFAOYSA-N
SMILES CC(C)(C#N)c1ccc(cc1)B(O)O

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Warning
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements 
WGK Germany  WGK 3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  2931900090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

Spectrum Detail

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