4-Cyanophenylboronic acid

• CAS: 126747-14-6
• Catalog Number: ACM126747146
• Category: Boronic Acids
• Molecular Weight: 146.94g/mol
• Molecular Formula: C7H6BNO2
• Synonyms: CHEMBRDG-BB 3200965;4-CYANOPHENYLBORONIC ACID;4-CYANOBENZENEBORONIC ACID;AKOS BRN-0076;RARECHEM AH PB 0209;P-CYANOPHENYLBORONIC ACID;4-Boronobenzonitrile~4-Cyanophenylboronic acid;Boronic acid, (4-cyanophenyl)- (9CI)
• IUPAC Name: (4-cyanophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C#N)(O)O
• InChI: InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H
• InChI Key: CEBAHYWORUOILU-UHFFFAOYSA-N
• Complexity: 167
• Covalently-Bonded Unit Count: 1
• Exact Mass: 147.049159g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 147.049159g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Cyanophenylboronic acid?

The molecular formula of 4-Cyanophenylboronic acid is C7H6BNO2.

What is the molecular weight of 4-Cyanophenylboronic acid?

The molecular weight of 4-Cyanophenylboronic acid is 146.94 g/mol.

What is the IUPAC name of 4-Cyanophenylboronic acid?

The IUPAC name of 4-Cyanophenylboronic acid is (4-cyanophenyl)boronic acid.

What is the InChI of 4-Cyanophenylboronic acid?

The InChI of 4-Cyanophenylboronic acid is InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H.

What is the InChIKey of 4-Cyanophenylboronic acid?

The InChIKey of 4-Cyanophenylboronic acid is CEBAHYWORUOILU-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Cyanophenylboronic acid?

The Canonical SMILES of 4-Cyanophenylboronic acid is B(C1=CC=C(C=C1)C#N)(O)O.

What is the CAS number of 4-Cyanophenylboronic acid?

The CAS number of 4-Cyanophenylboronic acid is 126747-14-6.

What is the Chemical Abstracts Service (CAS) Common Chemistry identifier for 4-Cyanophenylboronic acid?

The Chemical Abstracts Service (CAS) Common Chemistry identifier for 4-Cyanophenylboronic acid is 126747-14-6.

How many hydrogen bond donor counts does 4-Cyanophenylboronic acid have?

4-Cyanophenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Cyanophenylboronic acid have?

4-Cyanophenylboronic acid has 3 hydrogen bond acceptor counts.

Synthetic Use

Downstream Synthesis Route 1

• 149817-62-9
• 126747-14-6

• 502622-86-8

Reference: [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2002,p. 1669 - 1681

Downstream Synthesis Route 2

• 288-32-4
• 126747-14-6

• 25372-03-6

Reference: [1] ChemCatChem, 2016, vol. 8, # 18, p. 2953 - 2960

Downstream Synthesis Route 3

• 1609-47-8
• 126747-14-6

• 7153-22-2

Reference: [1] Advanced Synthesis and Catalysis, 2015, vol. 357, # 14-15, p. 3104 - 3108

Downstream Synthesis Route 4

• 126747-14-6

• 876-31-3

Reference: [1] Organic Letters, 2015, vol. 17, # 3, p. 476 - 479

* For details of the synthesis route, please refer to the original source to ensure accuracy.