Phenylboronic acid

• CAS: 98-80-6
• Catalog Number: ACM98806
• Category: Other Products
• Molecular Weight: 121.93
• Molecular Formula: C6H7BO2
• Synonyms: Benzenboronic acid
• IUPAC Name: phenylboronic acid
• Canonical SMILES: B(C1=CC=CC=C1)(O)O
• InChI: InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
• InChI Key: HXITXNWTGFUOAU-UHFFFAOYSA-N
• Boiling Point: 265.9±23.0 °C
• Melting Point: 216-219 °C (lit.)
• Density: 1.13±0.1 g/ml
• Application: Phenylboronic acid is a versatile compound primarily used in organic synthesis, particularly for the production of various pharmaceutical products. It appears as a white to light yellow crystalline powder and, while insoluble in water and benzene, it dissolves readily in ether and methanol. Notably, phenylboronic acid can bind with sugars and other diol compounds to form cyclic boronate esters, which are useful in detecting sugars through electrochemical and optical methods due to their charged nature. This functionality allows phenylboronic acid to be employed as an integral component in electrochemical sensors, where it is absorbed onto electrodes either as a self-assembled monolayer or as a polymer film. Such sensors enable reagentless detection of specific compounds, enhancing analytical capabilities. Additionally, in optical detection techniques, phenylboronic acid is often modified with a chromophore that alters its properties upon reacting with sugars, facilitating sugar detection. Beyond its synthesis applications, phenylboronic acid's favorable water solubility and low cytotoxicity render it a promising candidate as a nuclear-targeted boron agent in neutron capture therapy for melanoma, demonstrating its potential in both scientific and medical fields.
• Complexity: 79.1
• Covalently-Bonded Unit Count: 1
• EC Number: 202-701-9
• Exact Mass: 122.05391g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 9
• LogP: 1.58 (LogP)
• Monoisotopic Mass: 122.05391g/mol
• NSC Number: 66487
• Rotatable Bond Count: 1
• UNII: L12H7B02G5

Custom Q&A

What is the molecular formula of phenylboronic acid?

The molecular formula of phenylboronic acid is C6H7BO2.

What is the molecular weight of phenylboronic acid?

The molecular weight of phenylboronic acid is 121.93 g/mol.

What is the IUPAC name of phenylboronic acid?

The IUPAC name of phenylboronic acid is phenylboronic acid.

What is the InChI of phenylboronic acid?

The InChI of phenylboronic acid is InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H.

What is the InChIKey of phenylboronic acid?

The InChIKey of phenylboronic acid is HXITXNWTGFUOAU-UHFFFAOYSA-N.

What is the canonical SMILES of phenylboronic acid?

The canonical SMILES of phenylboronic acid is B(C1=CC=CC=C1)(O)O.

What is the CAS number of phenylboronic acid?

The CAS number of phenylboronic acid is 98-80-6.

What is the common chemistry identifier (ChEMBL ID) of phenylboronic acid?

The common chemistry identifier (ChEMBL ID) of phenylboronic acid is CHEMBL21485.

What is the hydrogen bond donor count of phenylboronic acid?

The hydrogen bond donor count of phenylboronic acid is 2.

What is the hydrogen bond acceptor count of phenylboronic acid?

The hydrogen bond acceptor count of phenylboronic acid is 2.