2-Cyanobenzeneboronic acid, pinacol ester

• CAS: 214360-48-2
• Catalog Number: ACM214360482
• Category: Other
• Molecular Weight: 229.08
• Molecular Formula: C₁₃H₁₆BNO₂
• Synonyms: 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER;2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE;AKOS BRN-1132;2-Cyanobenzeneboronic acid, pinacol ester;2-(2-Cyanophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane;1,1,2,2-Tetramethyldimethylene (2-cyanop
• IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N
• InChI Key: SKQNWSBNAIOCOC-UHFFFAOYSA-N
• Boiling Point: 357.1ºC at 760mmHg
• Melting Point: 88-90ºC
• Flash Point: 169.8ºC
• Density: 1.06g/cm³
• Exact Mass: 229.12700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-Cyanobenzeneboronic acid, pinacol ester?

The molecular formula is C13H16BNO2.

What is the molecular weight of 2-Cyanobenzeneboronic acid, pinacol ester?

The molecular weight is 229.08 g/mol.

When was 2-Cyanobenzeneboronic acid, pinacol ester created?

It was created on September 9, 2005.

When was 2-Cyanobenzeneboronic acid, pinacol ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 2-Cyanobenzeneboronic acid, pinacol ester?

The IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the InChI of 2-Cyanobenzeneboronic acid, pinacol ester?

The InChI is InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3.

What is the InChIKey of 2-Cyanobenzeneboronic acid, pinacol ester?

The InChIKey is SKQNWSBNAIOCOC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Cyanobenzeneboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N.

What is the CAS number of 2-Cyanobenzeneboronic acid, pinacol ester?

The CAS number is 214360-48-2.

What is the European Community (EC) number of 2-Cyanobenzeneboronic acid, pinacol ester?

The European Community (EC) number is 678-824-0.