Cas no 957121-07-2 (2-Chloro-6-fluoro-3-hydroxyphenylboronic acid)

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid is a versatile boronic acid derivative commonly employed in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. Its halogenated and hydroxyl-substituted aromatic structure enhances reactivity and selectivity, making it valuable for constructing complex pharmaceutical intermediates and agrochemical compounds. The presence of both chloro and fluoro substituents offers additional sites for further functionalization, while the boronic acid group facilitates efficient coupling with aryl or vinyl halides. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules. Its stability under standard handling conditions and compatibility with diverse reaction conditions further contribute to its utility in synthetic applications.
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid structure
957121-07-2 structure
Product Name:2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
CAS No:957121-07-2
MF:C6H5BClFO3
MW:190.364504575729
MDL:MFCD09800886
CID:796968
PubChem ID:44558147
Update Time:2025-10-28

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
    • (2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid
    • 2-Chloro-3-hydroxy-6-fluorophenylboronic acid
    • 2-CHLORO-6-FLUORO-3-HYDROXYBENZENEBORONIC ACID
    • Boronic acid,B-(2-chloro-6-fluoro-3-hydroxyphenyl)-
    • B-(2-Chloro-6-fluoro-3-hydroxyphenyl)boronic acid (ACI)
    • 2-Chloro-6-fluoro-3-hydroxyphenylboronicacid
    • DTXSID30659368
    • AKOS006346051
    • (2-chloro-6-fluoro-3-hydroxy-phenyl)boronic acid
    • CS-0100648
    • CS-16573
    • 957121-07-2
    • MFCD09800886
    • N12116
    • J-508931
    • DB-010393
    • MDL: MFCD09800886
    • Inchi: 1S/C6H5BClFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H
    • InChI Key: MMQMWHTYNPPUMF-UHFFFAOYSA-N
    • SMILES: FC1C(B(O)O)=C(Cl)C(O)=CC=1

Computed Properties

  • Exact Mass: 190.00000
  • Monoisotopic Mass: 190
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 60.7A^2

Experimental Properties

  • Density: 1.58
  • Boiling Point: 378.7°C at 760 mmHg
  • Flash Point: 182.8°C
  • Refractive Index: 1.575
  • PSA: 60.69000
  • LogP: -0.13550

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
225341-5g
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
5g
£200.00 2022-02-28
Alichem
A019064018-250mg
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
250mg
$680.00 2023-08-31
Alichem
A019064018-500mg
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
500mg
$980.00 2023-08-31
Alichem
A019064018-1g
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
1g
$1685.00 2023-08-31
Fluorochem
225341-1g
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
1g
£50.00 2022-02-28
Chemenu
CM134795-10g
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2 95%
10g
$368 2021-08-05
TRC
C584533-100mg
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2
100mg
$64.00 2023-05-18
TRC
C584533-250mg
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2
250mg
$75.00 2023-05-18
TRC
C584533-500mg
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2
500mg
$87.00 2023-05-18
TRC
C584533-1g
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
957121-07-2
1g
$98.00 2023-05-18

Additional information on 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid

Comprehensive Overview of 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid (CAS No. 957121-07-2)

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid (CAS No. 957121-07-2) is a versatile boronic acid derivative widely utilized in organic synthesis, pharmaceutical research, and material science. This compound belongs to the class of arylboronic acids, which are pivotal in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern drug discovery and agrochemical development. Its unique structural features, including the chloro and fluoro substituents, enhance its reactivity and selectivity in palladium-catalyzed reactions, making it a valuable building block for heterocyclic compounds.

The growing demand for 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid is driven by its applications in targeted drug delivery systems and bioconjugation techniques. Researchers are increasingly exploring its role in proteolysis-targeting chimeras (PROTACs), a cutting-edge therapeutic strategy for degrading disease-causing proteins. Additionally, its hydroxyl group offers opportunities for further functionalization, enabling the synthesis of biocompatible polymers and sensors for environmental monitoring.

In the context of green chemistry, 957121-07-2 aligns with the industry's shift toward sustainable synthesis. Its compatibility with water-soluble catalysts and microwave-assisted reactions reduces the need for hazardous solvents, addressing concerns about carbon footprint reduction. This aligns with trending searches such as "eco-friendly boronic acids" and "green cross-coupling reagents," reflecting broader interest in environmentally benign chemical processes.

From a structural-activity relationship perspective, the electron-withdrawing effects of the chloro and fluoro groups in 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid enhance its stability and reactivity in aqueous media. This property is critical for biomedical imaging applications, where the compound serves as a precursor for fluorescent probes targeting specific cellular pathways. Recent studies highlight its potential in cancer theranostics, a field merging therapy and diagnostics, which dominates academic and industrial research agendas.

Quality control and analytical validation of CAS No. 957121-07-2 are essential for ensuring reproducibility in research. Advanced techniques like high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are employed to verify purity, a topic frequently searched alongside "boronic acid characterization methods." Suppliers emphasizing batch-to-batch consistency and low heavy metal content cater to stringent pharmaceutical-grade standards.

Looking ahead, the integration of 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid into high-throughput screening platforms and machine learning-driven drug design exemplifies its future-proof relevance. As the scientific community prioritizes precision medicine and AI-augmented chemistry, this compound's adaptability positions it as a key enabler of next-generation therapeutic innovations.

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD