138500-87-5

Name (4-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER
CAS 138500-87-5
Molecular Formula C21H22BNO4
MDL Number MFCD02179489
Molecular Weight 363.21
MOL File 138500-87-5.mol

Chemical Properties

Melting point  155-158
Boiling point  504.0±43.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  Keep Cold
form  solid
pka -2.27±0.20(Predicted)
Appearance White to off-white Solid
InChI 1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-11-9-14(10-12-15)13-23-18(24)16-7-5-6-8-17(16)19(23)25/h5-12H,13H2,1-4H3
InChIKey ZLSIUDAKDAXZRV-UHFFFAOYSA-N
SMILES CC1(C)OB(OC1(C)C)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P271-P261-P280
Hazard Codes  Xi
WGK Germany  3
Hazard Note  Irritant/Keep Cold
HazardClass  IRRITANT
HS Code  2931900090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

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