3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Registry Number®
479411-96-6
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CAS Name
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileMolecular Formula
C13H15BBrNO2Molecular Mass
307.98Cite 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/ChemicalDetail.aspx?ref=479411-96-6 (retrieved ) (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
