Cas no 214210-21-6 ((3-cyano-4-fluorophenyl)boronic acid)

(3-Cyano-4-fluorophenyl)boronic acid is a versatile boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. The presence of both cyano and fluoro substituents on the phenyl ring enhances its reactivity and selectivity, making it valuable for constructing complex aryl structures in pharmaceuticals, agrochemicals, and materials science. Its stability under typical reaction conditions and compatibility with diverse catalysts further contribute to its utility. The compound is particularly advantageous for introducing electron-withdrawing groups into target molecules, enabling precise modifications for advanced research and industrial applications. Proper handling under inert conditions is recommended to maintain its integrity.
(3-cyano-4-fluorophenyl)boronic acid structure
214210-21-6 structure
Product Name:(3-cyano-4-fluorophenyl)boronic acid
CAS No:214210-21-6
MF:C7H5BFNO2
MW:164.929505109787
MDL:MFCD03095130
CID:66888
PubChem ID:2757964
Update Time:2025-06-09

(3-cyano-4-fluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Cyano-4-fluorobenzeneboronic acid
    • (3-Cyano-4-fluorophenyl)boronic acid
    • 3-Cyano-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)
    • 3-Cyano-4-fluorophenylboronic acid
    • 4-fluoro-3-cyanobenzeneboronic acid
    • 4-fluoro-3-cyanophenyl boronic acid
    • 3-Cyano-4-fluorobenzeneboronic Acid (contains varying amounts of Anhydride)
    • (3-cyano-4-fluoro-phenyl)boronic Acid
    • 3-Cyano-4-fluorophneylboronic acid
    • 2-FLUORO-5-BORONOBENZONITRILE
    • Boronic acid, (3-cyano-4-fluorophenyl)-
    • 3-Cyano-4-fluorobenzeneboronicacid
    • PubChem1802
    • KSC494O9L
    • OLKIYJDSLMKNLC-UHFFFAOYSA-N
    • BM281
    • 3-cyano-4-fluoro phenylboronic acid
    • 3-cyano-
    • DTXSID40374095
    • SY026624
    • A4615
    • FT-0652787
    • AB13505
    • 214210-21-6
    • EN300-211081
    • AC-6167
    • 3-cyano-4-fluoro-phenylboronic acid
    • CS-D1035
    • Boronicacid,B-(3-cyano-4-fluorophenyl)-
    • AM20030348
    • AKOS005146512
    • 3-Cyano-4-fluorophenylboronic acid, AldrichCPR
    • Z1201622088
    • AS-15063
    • J-512355
    • SCHEMBL247641
    • MFCD03095130
    • 3-Cyano-4-fluorophenyl boronic acid
    • Boronic acid, B-(3-cyano-4-fluorophenyl)-
    • C2676
    • DB-025188
    • (3-cyano-4-fluorophenyl)boronic acid
    • MDL: MFCD03095130
    • Inchi: 1S/C7H5BFNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
    • InChI Key: OLKIYJDSLMKNLC-UHFFFAOYSA-N
    • SMILES: FC1C=CC(B(O)O)=CC=1C#N

Computed Properties

  • Exact Mass: 165.04000
  • Monoisotopic Mass: 165.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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: 64.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.35
  • Melting Point: >300°C
  • Boiling Point: 333.2℃ at 760 mmHg
  • Flash Point: 155.3±30.7 °C
  • Refractive Index: 1.535
  • PSA: 64.25000
  • LogP: -0.62282
  • Solubility: Not determined

(3-cyano-4-fluorophenyl)boronic acid Security Information

(3-cyano-4-fluorophenyl)boronic 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%

(3-cyano-4-fluorophenyl)boronic acid Pricemore >>

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(3-cyano-4-fluorophenyl)boronic acid Production Method

(3-cyano-4-fluorophenyl)boronic acid Related Literature

Additional information on (3-cyano-4-fluorophenyl)boronic acid

Introduction to (3-cyano-4-fluorophenyl)boronic Acid (CAS No. 214210-21-6)

(3-cyano-4-fluorophenyl)boronic acid), identified by its CAS number 214210-21-6, is a specialized boronic acid derivative that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its unique structural features, including a cyano group at the 3-position and a fluorine atom at the 4-position of the phenyl ring, exhibits distinct chemical properties that make it valuable in various synthetic applications.

Boronic acids are well-known for their utility in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern organic synthesis. The presence of both electron-withdrawing and electron-donating groups in (3-cyano-4-fluorophenyl)boronic acid enhances its reactivity and selectivity, making it an excellent candidate for constructing complex molecular architectures. The cyano group introduces a strong electron-withdrawing effect, which can influence the electronic properties of the boronic acid moiety, while the fluorine atom provides additional steric and electronic modulation.

In recent years, there has been a surge in research focusing on boronic acid derivatives as pharmacophores and intermediates in drug development. The structural motif of (3-cyano-4-fluorophenyl)boronic acid has been explored in the design of novel therapeutic agents targeting various diseases. For instance, studies have demonstrated its potential in the synthesis of kinase inhibitors, where the precise arrangement of substituents can optimize binding affinity to biological targets.

The fluorine atom in (3-cyano-4-fluorophenyl)boronic acid not only enhances the compound's stability but also influences its metabolic pathways once incorporated into larger molecules. This feature is particularly relevant in drug design, where metabolic stability is a critical factor determining a drug's efficacy and safety profile. Recent advancements in computational chemistry have allowed researchers to predict how such substituents will interact with biological systems, further facilitating the development of targeted therapies.

One of the most compelling applications of (3-cyano-4-fluorophenyl)boronic acid lies in its role as a key intermediate in materials science. Boronic acids and their derivatives are widely used in the synthesis of polymers, coatings, and functional materials due to their ability to form stable complexes with various substrates. The unique electronic properties of this compound make it particularly useful in developing advanced materials with tailored optical and electronic characteristics.

The cyano group in (3-cyano-4-fluorophenyl)boronic acid also contributes to its utility in polymer chemistry by enabling further functionalization through reactions such as cyanation or hydrolysis. These transformations can lead to the creation of novel polymers with enhanced properties for specific applications, such as biodegradable plastics or high-performance composites. The combination of these chemical functionalities makes this compound a versatile building block for innovative material design.

In conclusion, (3-cyano-4-fluorophenyl)boronic acid (CAS No. 214210-21-6) represents a significant advancement in both pharmaceutical and materials science applications. Its unique structural features, including the presence of both cyano and fluorine substituents, endow it with exceptional reactivity and utility across multiple domains. As research continues to uncover new synthetic pathways and applications, this compound is poised to play an increasingly important role in shaping the future of chemical innovation.

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