4-Formylphenylboronic acid - ≥97% , CAS No.87199-17-5

CAS: 87199-17-5 Cat. No.: F106771 Molecular Weight: 149.94 Beilstein Registry Number: 3030770 EC Number: 438-670-5

GRADE & PURITY ≥97%

Synonyms

MFCD00151823 | Z4V1TO2DWR | 4-Formylphenylboronic acid (contains varying amounts of Anhydride) | 4-formylphenyl boronic acid | (4-formylphenyl)boronic acid | 4-Formylbenzeneboronic acid (contains varying amounts of Anhydride) | 4-Formylphenylboronicacid (

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Reagent used for . Palladium-catalyzed arylation Suzuki-Miyaura cross-coupling in water . Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides . Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids . Triethylamine-catalyzed three-component Hantzsch condensations . Copper-catalyzed nitrations . Oxidative mono-cleavage of dialkenes catalyzed by Trametes hirsuta . Palladacycle-catalyzed cross-coupling of arylboronic acids with carboxylic anhydrides or acyl chlorides . Palladium-catalyzed aerobic oxidative cross-coupling reactions Reagent used in Preparation of . Sensitizers with dithiafulvenyl unit as electron donor for high-efficiency dye-sensitized solar cells . A novel protein synthesis inhibitor active against Gram-positive bacteria

Specifications

Synonyms

MFCD00151823 | Z4V1TO2DWR | 4-Formylphenylboronic acid (contains varying amounts of Anhydride) | 4-formylphenyl boronic acid | (4-formylphenyl)boronic acid | 4-Formylbenzeneboronic acid (contains varying amounts of Anhydride) | 4-Formylphenylboronicacid (

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488190521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190521
• Canonical Smiles: B(C1=CC=C(C=C1)C=O)(O)O
• IUPAC Name: (4-formylphenyl)boronic acid
• InChIKey: VXWBQOJISHAKKM-UHFFFAOYSA-N
• INCHI: 1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H
• Isomeric SMILES: B(C1=CC=C(C=C1)C=O)(O)O
• WGK Germany: 3
• Molecular Weight: 149.94
• Beilstein: 3030770
• Reaxy-Rn: 3030770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3030770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Boronic acids Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly Soluble in water.
• Sensitivity: air sensitive
• Melt Point(°C): 237-242°C
• Molecular Weight: 149.940 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 150.049 Da
• Monoisotopic Mass: 150.049 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

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86. Yan Li, Yuxiang Zhang, Shuqin Wang, Xiaojing Ma, Chengxin Dai, Yifan Wang, Chenyi Ye, Sunwen Pan, Changyou Gao, Weixu Li.  (2025)  Synergistic Reversal of Inflammation-Mediated Degeneration in Intervertebral Discs: Phenylboric Acid-Grafted Hyaluronic Acid Hydrogel as an Anti-Oxidative Vehicle for Timp-3 Delivery and Promotion of Extracellular Matrix Synthesis.  Acta Biomaterialia,      [PMID:40484295] [10.1016/j.actbio.2025.06.011]

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