91983-26-5

Name 4-(CYANOMETHYL)BENZENEBORONIC ACID
CAS 91983-26-5
Molecular Formula C8H8BNO2
MDL Number MFCD01632200
Molecular Weight 160.97
MOL File 91983-26-5.mol
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Chemical Properties

Melting point  138-142°C
Boiling point  375.7±44.0 °C(Predicted)
density  1.20±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 8.49±0.10(Predicted)
color  White to Light yellow
BRN  3031323
InChI 1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChIKey YKVMTTIYBSVPEQ-UHFFFAOYSA-N
SMILES OB(O)c1ccc(CC#N)cc1
CAS DataBase Reference 91983-26-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  3439
WGK Germany  WGK 3
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  III
HS Code  2931900090
Storage Class 11 - Combustible Solids

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