2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile

CAS Registry Number®

863868-28-4

CAS Name

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile

Molecular Formula

C14H15BF3NO2

Molecular Mass

297.08

Cite this Page

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=863868-28-4 (retrieved 2024-11-25) (CAS RN: 863868-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79-80 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-7H,1-4H3

InChIKey

InChIKey=IUMGFEGPPUQZBJ-UHFFFAOYSA-N

SMILES

C(#N)C1=C(B2OC(C)(C)C(C)(C)O2)C=C(C(F)(F)F)C=C1

Canonical SMILES

N#CC1=CC=C(C=C1B2OC(C)(C)C(O2)(C)C)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
  • 2-Cyano-5-(trifluoromethyl)phenylboronic acid pinacol ester

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