2-(4-Boronophenyl)-2-methylpropanenitrile

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

Hazard Codes	Xi,Xn
Risk Statements	22
WGK Germany	WGK 3
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