3-Cyanobenzeneboronic acid, pinacol ester

• CAS: 214360-46-0
• Catalog Number: ACM214360460
• Category: Other
• Molecular Weight: 229.08
• Molecular Formula: C₁₃H₁₆BNO₂
• Synonyms: 578401_ALDRICH, BM076, 3-Cyanophenylboronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 214360-46-0
• IUPAC Name: 3-(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=C2)C#N
• InChI Key: FIGQEPXOSAFKTA-UHFFFAOYSA-N
• Boiling Point: 341ºC at 760mmHg
• Melting Point: 78-82ºC(lit.)
• Flash Point: 160ºC
• Density: 1.06g/cm³
• Exact Mass: 229.12700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Cyanobenzeneboronic acid, pinacol ester?

The molecular formula is C13H16BNO2.

What is the molecular weight of 3-Cyanobenzeneboronic acid, pinacol ester?

The molecular weight is 229.08 g/mol.

When was 3-Cyanobenzeneboronic acid, pinacol ester created?

It was created on July 19, 2005.

What is the IUPAC name of 3-Cyanobenzeneboronic acid, pinacol ester?

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

What is the InChI of 3-Cyanobenzeneboronic acid, pinacol ester?

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

What is the InChIKey of 3-Cyanobenzeneboronic acid, pinacol ester?

The InChIKey is FIGQEPXOSAFKTA-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Cyanobenzeneboronic acid, pinacol ester?

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

What is the CAS number of 3-Cyanobenzeneboronic acid, pinacol ester?

The CAS number is 214360-46-0.

What is the European Community (EC) number of 3-Cyanobenzeneboronic acid, pinacol ester?

The European Community (EC) number is 625-255-0.

Is 3-Cyanobenzeneboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.