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

CAS Registry Number®

1218791-27-5

CAS Name

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

Molecular Formula

C13H15BN2O4

Molecular Mass

274.08

Cite this Page

4-Nitro-3-(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=1218791-27-5 (retrieved 2024-12-02) (CAS RN: 1218791-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-9(8-15)5-6-11(10)16(17)18/h5-7H,1-4H3

InChIKey

InChIKey=XGIWPDLRNUKSKD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 4-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4-Nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS INSIGHTSTM
Hourglass and a clock