Cas no 1218791-11-7 (4-Carboxy-2-nitrophenylboronic acid, pinacol ester)

4-Carboxy-2-nitrophenylboronic acid pinacol ester is a boronic acid derivative commonly used in Suzuki-Miyaura cross-coupling reactions and other organoboron-mediated transformations. The pinacol ester group enhances stability, improving handling and storage compared to the free boronic acid. The nitro and carboxyl substituents offer additional reactivity for further functionalization or conjugation, making this compound valuable in pharmaceutical and materials science research. Its structural features allow for selective modifications while maintaining compatibility with aqueous and organic reaction conditions. The product is particularly useful in synthesizing complex biaryl systems or as an intermediate in medicinal chemistry applications.
4-Carboxy-2-nitrophenylboronic acid, pinacol ester structure
1218791-11-7 structure
Product Name:4-Carboxy-2-nitrophenylboronic acid, pinacol ester
CAS No:1218791-11-7
MF:C13H16BNO6
MW:293.080244064331
MDL:MFCD12546615
CID:829195
PubChem ID:46739717
Update Time:2025-10-19

4-Carboxy-2-nitrophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
    • 4-Carboxy-2-nitrophenylboronic acid, pinacol ester
    • EN300-1706462
    • BS-21212
    • 1218791-11-7
    • 3-NITRO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
    • 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid
    • DTXSID70675305
    • MFCD12546615
    • PKZUOPKSOXRIRN-UHFFFAOYSA-N
    • 4-Carboxy-2-nitrophenylboronic acid pinacol ester
    • DB-367662
    • Benzoic acid, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • E90734
    • AKOS016001258
    • 4-Carboxy-2-nitrophenylboronic acid,pinacol ester
    • CS-0174731
    • MDL： MFCD12546615
    • Inchi： 1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-6-5-8(11(16)17)7-10(9)15(18)19/h5-7H,1-4H3,(H,16,17)
    • InChI Key： PKZUOPKSOXRIRN-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC(C(=O)O)=CC=2[N+](=O)[O-])OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 293.10700
  • Monoisotopic Mass: 293.1070674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 430
  • 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: 102?2

Experimental Properties

  • PSA: 101.58000
  • LogP: 2.11540

4-Carboxy-2-nitrophenylboronic 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%

4-Carboxy-2-nitrophenylboronic acid, pinacol ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
 1218791-11-7 95%
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abcr
AB273527-1 g
4-Carboxy-2-nitrophenylboronic acid, pinacol ester, 98%; .
 1218791-11-7 98%
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abcr
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4-Carboxy-2-nitrophenylboronic acid, pinacol ester, 98%; .
 1218791-11-7 98%
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Matrix Scientific
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Matrix Scientific
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Fluorochem
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Fluorochem
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