864754-13-2

Name 1-BOC-4-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZOYL]-PIPERAZINE
CAS 864754-13-2
Molecular Formula C22H33BN2O5
MDL Number MFCD08706021
Molecular Weight 416.319
MOL File 864754-13-2.mol
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Chemical Properties

Melting point  150-160 °C
Boiling point  541.0±45.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka -0.38±0.70(Predicted)
color  White to Off-White
InChI 1S/C22H33BN2O5/c1-20(2,3)28-19(27)25-14-12-24(13-15-25)18(26)16-8-10-17(11-9-16)23-29-21(4,5)22(6,7)30-23/h8-11H,12-15H2,1-7H3
InChIKey QPYOLSJFOCIOHK-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)B3OC(C)(C)C(C)(C)O3

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
WGK Germany  3
HS Code  2933998090
Storage Class 11 - Combustible Solids

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