Cas no 2223042-76-8 (5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester)

5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester structure
2223042-76-8 structure
Product Name:5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester
CAS No:2223042-76-8
MF:C13H14BF3N2O2
MW:298.068673610687
CID:5575141
Update Time:2023-08-04

5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester
    • 3-Pyridinecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-
    • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
    • Inchi: 1S/C13H14BF3N2O2/c1-11(2)12(3,4)21-14(20-11)9-5-10(13(15,16)17)19-7-8(9)6-18/h5,7H,1-4H3
    • InChI Key: QSQIAYBVILTVRY-UHFFFAOYSA-N
    • SMILES: CC1(C(C)(OB(O1)C1C(C#N)=CN=C(C(F)(F)F)C=1)C)C

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Predicted)
  • Boiling Point: 371.3±42.0 °C(Predicted)
  • pka: -3.73±0.32(Predicted)
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