(4-boronophenyl)boronic acid (CED0198458)

Record Information

Version

1.0

Creation Date

2026-08-23 14:37:03 UTC

Update Date

2026-08-23 14:37:03 UTC

Accession Number

CHEM234403

Identification

Common Name

(4-boronophenyl)boronic acid

Class

Small Molecule

Description

(4-boronophenyl)boronic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C6H8B2O4 and an average molecular weight of 165.75 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₈B₂O₄

Average Molecular Mass

165.750 g/mol

Monoisotopic Mass

166.061 g/mol

CAS Registry Number

4612-26-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H

InChI Key

BODYVHJTUHHINQ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1662.0	Log mg/kg	[930:3000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
739	Inks	Paper, pulp & fiber products	Not Available
744	Water, Wastewater, & Sewage Treatment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Chymotrypsinogen A	P00766	Bos taurus	Predicted (SEA)	38.0683
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	165.585
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	146.512
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	409.02
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	69.7529
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	69.7529
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	90.9279
Click to view 3D structure	Endothelial lipase	Q9Y5X9	Humans	Predicted (SEA)	15.6477
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2167.4
Click to view 3D structure	Carbonic anhydrase	Q9HVB9	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	1.24559
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	1008.61
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	48.3444
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	752.646
Click to view 3D structure	Beta-lactamase	Q44079	Aeromonas hydrophila	Predicted (SEA)	228.41
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	4790.76
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	2.02408
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	2.56902
Click to view 3D structure	Beta-lactamase	P00811	Escherichia coli (strain K12)	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	0.467095
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	4.82665
Click to view 3D structure	Subtilisin BL	P29599	Bacillus lentus	Predicted (SEA)	0.0778492
Click to view 3D structure	Lipoprotein lipase	P06858	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	5.52729
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	39.3139
Click to view 3D structure	Subtilisin Carlsberg	P00780	Bacillus licheniformis	Predicted (SEA)	0.0778492