3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS Registry Number®

479411-96-6

CAS Name

3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Molecular Formula

C13H15BBrNO2

Molecular Mass

307.98

Cite this Page

3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=479411-96-6 (retrieved 2024-11-25) (CAS RN: 479411-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    83-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3

InChIKey

InChIKey=RXYJIHWLAKWJTK-UHFFFAOYSA-N

SMILES

CC1(C)OB(OC1(C)C)C2=CC(C#N)=CC(Br)=C2

Canonical SMILES

N#CC1=CC(Br)=CC(=C1)B2OC(C)(C)C(O2)(C)C

Other Names for this Substance

  • Benzonitrile, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 3-Bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 3-Bromo-5-cyanophenylboronic acid pinacol ester

CAS INSIGHTSTM
Hourglass and a clock