685103-98-4

Name 4-Isoquinolineboronic acid pinacol ester
CAS 685103-98-4
Molecular Formula C15H20BNO3
MDL Number MFCD05663891
Molecular Weight 273.14
MOL File 685103-98-4.mol
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Chemical Properties

Melting point  98-102 °C (lit.)
Boiling point  397.5±15.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
form  powder to crystal
pka 5.30±0.10(Predicted)
color  White to Light yellow
InChI InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
InChIKey LOMKRPABAXIQJL-UHFFFAOYSA-N
SMILES C1C2=C(C=CC=C2)C(B2OC(C)(C)C(C)(C)O2)=CN=1
CAS DataBase Reference 685103-98-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
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:Wear suitable protective clothing .
WGK Germany  3
HS Code  2933499090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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