Cas no 4612-26-4 (1,4-Phenylenediboronic acid)

1,4-Phenylenediboronic acid is a bifunctional boronic acid derivative with the molecular formula C?H?(B(OH)?)?. This compound serves as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its two reactive boronic acid groups. Its rigid aromatic backbone enhances stability and facilitates the formation of conjugated polymers, metal-organic frameworks (MOFs), and other advanced materials. The high purity and consistent reactivity of 1,4-phenylenediboronic acid make it valuable for pharmaceutical intermediates, OLED materials, and sensor development. Its compatibility with various solvents and functional groups further broadens its utility in research and industrial applications. Proper handling under inert conditions is recommended to preserve its reactivity.
1,4-Phenylenediboronic acid structure
1,4-Phenylenediboronic acid structure
Product Name:1,4-Phenylenediboronic acid
CAS No:4612-26-4
MF:C6H8B2O4
MW:165.74732208252
MDL:MFCD00236018
CID:45203
PubChem ID:24866124
Update Time:2025-10-31

1,4-Phenylenediboronic acid Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediboronic acid
    • 1,4-Phenylenediboronic acid
    • 4-(Dihydroxyboryl)phenylboronic acid
    • 1,4-Phenylenebisboronic acid
    • Benzene-1,4-diboronic acid
    • 1,4-Phenylenediboronic Acid (contains varying amounts of Anhydride)
    • 1,4-Phenylenebis(boronic acid)
    • p-Phenylenediboronic Acid
    • 1,4-benzeendiboronic acid
    • 1,4-Benzendiboronic acid
    • 1,4-Phenyldiboronic acid
    • 1,4-Phenylenebisboronic
    • 4-bis(dihydroxyboryl)benzene
    • p-phenyldiboronic acid
    • p-phenylenebis(dihydroxyborane)
    • p-Benzenediboronic acid
    • NSC 25410
    • 1,4-Benzenediboronic Acid (contains varying amounts of Anhydride)
    • Benzene-1,4-diboronic acid,97%
    • DTXSID20963507
    • SCHEMBL204921
    • [4-(dihydroxyboranyl)phenyl]boronic acid
    • NSC-25410
    • BCP9000038
    • AKOS004116070
    • 1,4-Phenylenediboronicacid
    • 4612-26-4
    • P1358
    • FT-0606763
    • EN300-7363335
    • AM20040523
    • BDBM50067903
    • 1,4-benzene diboronic acid
    • Boronic acid, B,B'-1,4-phenylenebis-
    • AB05330
    • CHEMBL140916
    • benzene-1,4-diyldiboronic acid
    • SY025269
    • A7211
    • Benzene-1,4-diboronic acid, >=95.0%
    • 676566-94-2
    • 1,4-phenylene diboronic acid
    • 1,4 phenyl diboronic acid
    • MFCD00236018
    • Boronic acid, 1,4-phenylenebis-
    • HY-W000938
    • (4-boronophenyl)boronic acid
    • AS-3100
    • NCGC00092017-01
    • CS-W000938
    • BCP22772
    • NSC25410
    • BODYVHJTUHHINQ-UHFFFAOYSA-N
    • p-phenylenebisboronic acid
    • BBL102130
    • DB-010277
    • STL555929
    • MDL: MFCD00236018
    • 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
    • SMILES: OB(C1C=CC(B(O)O)=CC=1)O
    • BRN: 2836921

Computed Properties

  • Exact Mass: 166.06100
  • Monoisotopic Mass: 166.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 80.9A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.3300
  • Melting Point: >350?°C (lit.)
  • Boiling Point: 420.1 °C at 760 mmHg
  • Flash Point: 207.9 °C
  • Refractive Index: 1.555
  • Water Partition Coefficient: Soluble in water 2.5%.
  • PSA: 80.92000
  • LogP: -2.95380
  • Solubility: Uncertain

1,4-Phenylenediboronic acid Security Information

1,4-Phenylenediboronic acid Customs Data

  • HS CODE:29310095
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1,4-Phenylenediboronic acid Pricemore >>

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1,4-Phenylenediboronic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:4612-26-4)1,4-Phenylenebisboronic acid
Order Number:sfd7491
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4612-26-4)1,4-Phenylenediboronic acid
Order Number:A1203290
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:49
Price ($):427.0

Additional information on 1,4-Phenylenediboronic acid

Introduction to 1,4-Phenylenediboronic Acid (CAS No. 4612-26-4)

1,4-Phenylenediboronic acid, with the chemical formula C?H?B?O?, is a boronic acid derivative that has garnered significant attention in the field of chemical biology and materials science due to its unique structural and functional properties. This compound, identified by its CAS number 4612-26-4, is characterized by the presence of two boronic acid groups attached to a phenylene backbone, making it a versatile intermediate in organic synthesis and a potential candidate for various industrial and pharmaceutical applications.

The boronic acid functional group in 1,4-Phenylenediboronic acid is known for its ability to participate in various chemical reactions, including esterification, condensation, and coordination with metals. These properties make it a valuable building block in the synthesis of complex molecules, particularly in the development of polymers, catalysts, and pharmaceuticals. The phenylene bridge provides additional stability and reactivity, allowing for further functionalization and modification.

In recent years, 1,4-Phenylenediboronic acid has been extensively studied for its potential applications in biomedicine. Boronic acids are well-documented for their role in enzyme inhibition and drug delivery systems. The boron atom's ability to form stable complexes with biological molecules has led to the exploration of 1,4-Phenylenediboronic acid as a component in targeted drug therapies. For instance, research has demonstrated its utility in the development of protease inhibitors, which are crucial in treating diseases such as cancer and infectious disorders.

One of the most promising areas of research involving 1,4-Phenylenediboronic acid is its application in boron neutron capture therapy (BNCT), a novel approach for cancer treatment. In BNCT, boron-containing compounds are selectively accumulated in tumor cells, and when exposed to neutron radiation, they release energy that destroys the cancer cells while minimizing damage to surrounding healthy tissue. The high affinity of 1,4-Phenylenediboronic acid for certain biological targets makes it an attractive candidate for this therapy.

The synthesis of 1,4-Phenylenediboronic acid typically involves the reaction of phenylene dibromide with sodium borohydride or other boron-containing reagents under controlled conditions. Advances in synthetic methodologies have improved the yield and purity of this compound, making it more accessible for research and industrial use. Recent studies have also explored greener synthetic routes that minimize waste and reduce environmental impact.

Another significant application of 1,4-Phenylenediboronic acid is in the field of materials science. Its ability to form strong coordination bonds with metals has led to the development of novel metal-organic frameworks (MOFs) and catalysts. These materials have potential uses in gas storage, separation technologies, and catalytic processes. The phenylene core provides rigidity and stability to these frameworks while allowing for tunable porosity and reactivity.

In conclusion,1,4-Phenylenediboronic acid (CAS No. 4612-26-4) is a multifunctional compound with broad applications across multiple scientific disciplines. Its unique structural features and reactivity make it a valuable tool in pharmaceutical development, biomedicine, and materials science. As research continues to uncover new applications for this compound,1,4-Phenylenediboronic acid is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:4612-26-4)1,4-Phenylenebisboronic acid
sfd7491
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:4612-26-4)1,4-Phenylenediboronic acid
A1203290
Purity:99%
Quantity:500g
Price ($):427.0
Email