4-Isoquinolineboronic acid Structure

4-Isoquinolineboronic acid

Chemical Properties

Melting point 178°C
Boiling point 419.1±37.0 °C(Predicted)
Density  1.28±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 4.61±0.30(Predicted)
form  solid
color  White to off-white
InChI 1S/C9H8BNO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6,12-13H
InChIKey GDTOUTKTCGPAGY-UHFFFAOYSA-N
SMILES OB(O)c1cncc2ccccc12
CAS DataBase Reference 192182-56-2(CAS DataBase Reference)
UNSPSC Code 12352103

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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4-Isoquinolineboronic acid Spectrum