Cas no 377780-80-8 (3-Carboxy-5-nitrophenylboronic acid, pinacol ester)

3-Carboxy-5-nitrophenylboronic acid, pinacol ester structure
377780-80-8 structure
Product Name:3-Carboxy-5-nitrophenylboronic acid, pinacol ester
CAS No:377780-80-8
MF:C13H16BNO6
MW:293.080244064331
MDL:MFCD03411932
CID:303624
PubChem ID:3415168
Update Time:2025-04-19

3-Carboxy-5-nitrophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
    • 3-Carboxy-5-nitrophenylboronic acid, pinacol ester
    • (3-Carboxy-5-Nitrophenyl)Boronic Acid Pinacol Ester
    • 3-Carboxy-5-nitrobenzeneboronic acid pinacol ester
    • Benzoicacid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • D71326
    • (3-Carboxy-5-nitrophenyl)boronic acid,pinacol ester
    • CQA78080
    • (3-Carboxy-5-nitrophenyl)boronic acid, pinacol ester
    • DTXSID80392273
    • AB14281
    • CS-0153869
    • SCHEMBL10225795
    • FT-0644533
    • 377780-80-8
    • 3-Carboxy-5-nitrophenylboronic acid pinacol ester
    • A823869
    • MFCD03411932
    • C13H16BNO6
    • AKOS016001448
    • AS-69205
    • DB-015868
    • MDL: MFCD03411932
    • Inchi: 1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)
    • InChI Key: OYMDMSRXMZRHPB-UHFFFAOYSA-N
    • SMILES: O1B(C2C=C(C=C(C(=O)O)C=2)[N+](=O)[O-])OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 293.10700
  • Monoisotopic Mass: 293.107
  • 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: 102A^2

Experimental Properties

  • Density: 1.29
  • Melting Point: 246-250℃
  • Boiling Point: 451.3 ℃ at 760 mmHg
  • Flash Point: 226.7°C
  • Refractive Index: 1.544
  • PSA: 101.58000
  • LogP: 2.11540

3-Carboxy-5-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%

3-Carboxy-5-nitrophenylboronic acid, pinacol ester Pricemore >>

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