Cas no 548797-51-9 (3-Chloro-4-cyanophenylboronic acid pinacol ester)

3-Chloro-4-cyanophenylboronic acid pinacol ester is a high-purity boronic ester derivative commonly employed in Suzuki-Miyaura cross-coupling reactions. Its pinacol ester group enhances stability, improving handling and storage compared to free boronic acids. The chloro and cyano substituents on the phenyl ring provide versatile reactivity for further functionalization, making it valuable in pharmaceutical and materials science applications. The compound exhibits good solubility in organic solvents, facilitating its use in homogeneous reaction conditions. Its well-defined structure ensures consistent performance in palladium-catalyzed coupling reactions, enabling efficient synthesis of complex biaryl systems. Careful purification ensures low levels of residual impurities, minimizing side reactions.
3-Chloro-4-cyanophenylboronic acid pinacol ester structure
548797-51-9 structure
Product Name:3-Chloro-4-cyanophenylboronic acid pinacol ester
CAS No:548797-51-9
MF:C13H15BClNO2
MW:263.527702569962
MDL:MFCD16996249
CID:1033062
PubChem ID:57926113
Update Time:2025-06-08

3-Chloro-4-cyanophenylboronic acid pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • ACMC-209ljw
    • AK120035
    • ANW-32202
    • CTK8B1880
    • KB-229529
    • MB20307
    • SureCN748654
    • BS-28668
    • DTXSID70728300
    • AKOS016010857
    • SY009355
    • CS-0112716
    • Z1827893269
    • EN300-176016
    • DB-355601
    • 3-Chloro-4-cyanophenylboronic acid pinacol ester
    • 548797-51-9
    • ZOSROBSLLRBHDG-UHFFFAOYSA-N
    • BENZONITRILE, 2-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
    • C15973
    • 2-CHLORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
    • 2-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
    • MFCD16996249
    • C13H15BClNO2
    • 2-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile
    • SCHEMBL748654
    • A935467
    • ZB1842
    • MDL： MFCD16996249
    • Inchi： 1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
    • InChI Key： ZOSROBSLLRBHDG-UHFFFAOYSA-N
    • SMILES： ClC1=C(C#N)C=CC(B2OC(C)(C)C(C)(C)O2)=C1

Computed Properties

  • Exact Mass: 263.08800
  • Monoisotopic Mass: 263.0884366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 360
  • 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: 42.2?2

Experimental Properties

  • PSA: 42.25000
  • LogP: 2.51088

3-Chloro-4-cyanophenylboronic acid pinacol ester Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Chloro-4-cyanophenylboronic acid pinacol ester Pricemore >>

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3-Chloro-4-cyanophenylboronic acid pinacol ester Production Method

3-Chloro-4-cyanophenylboronic acid pinacol ester Related Literature

548797-51-9 (3-Chloro-4-cyanophenylboronic acid pinacol ester) Related Products

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