Phenylboronic acid

CAS Number: 98-80-6

Molecular Formula: C6H7BO2

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About Phenylboronic acid

Phenylboronic acid (CAS 98-80-6) continues to be a cornerstone of the North American API intermediates market, where its role in Suzuki-Miyaura cross-coupling reactions is indispensable for the large-scale synthesis of complex pharmaceutical scaffolds and anti-cancer therapeutics. Dihydroxyphenylborane (CAS 98-80-6) is...

Synonyms

benzeneboronic acid
phenylboronate
phenylboronic acid
Phenylboronic acid
98-80-6

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Phenylboronic acid Specifications

CAS Number

98-80-6

Molecular Formula

C6H7BO2

Molecular Weight

121.93 g/mol

IUPAC Name

phenylboronic acid

Canonical SMILES

B(C1=CC=CC=C1)(O)O

InChI Key

HXITXNWTGFUOAU-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H

PubChem CID

66827

EINECS Number

202-701-9

MDL Number

MFCD00002103

HSN No

29319090

CAS Number

98-80-6

Molecular Formula

C6H7BO2

Molecular Weight

121.93 g/mol

IUPAC Name

phenylboronic acid

Canonical SMILES

B(C1=CC=CC=C1)(O)O

InChI Key

HXITXNWTGFUOAU-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H

PubChem CID

66827

EINECS Number

202-701-9

MDL Number

MFCD00002103

HSN No

29319090

Molecular Weight

121.93 g/mol

Boiling Point

265.9±23.0 °C (Predicted)

Density

1.13 g/cm3

PSA

40.5 Å²

Average mass

121.93 g/mol

Monoisotopic mass

122.0539096 Da

Molar mass

121.93 g/mol

Vapour pressure

0.00000856 mmHg

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (96.6%) Skin Irrit. 2 (87.5%)

Organic Synthesis Reagent

A versatile building block and phenyl group source used in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura, Heck-type, and Stille couplings to synthesize complex organic molecules and biaryls

Molecular Sensor and Receptor

A high-affinity ligand used to recognize and bind cis-diol containing compounds like glucose, saccharides, and glycoproteins for the development of diagnostic biosensors and glucose-monitoring platforms

Pharmaceutical and Biomedical Intermediate

A functional moiety employed in the design of stimuli-responsive drug delivery systems, including glucose-sensitive polymers for self-regulated insulin release and targeted cancer therapies such as boron neutron capture therapy

Materials Science Building Block

A specialized monomer used in the preparation of N-type polymers for all-polymer solar cells and for the surface modification of hydrogels to enhance the mucoadhesiveness and drug-release profiles of ophthalmic devices

Separation Science Sorbent

A selective chromatographic support used in solid-phase extraction to isolate and purify catecholamines, nucleic acids, and glycosylated proteins via reversible covalent bonding with vicinal diols.