Cas no 1218791-26-4 (2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester)

2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester structure
1218791-26-4 structure
Product Name:2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester
CAS No:1218791-26-4
MF:C13H15BF3NO4
MW:317.068714380264
CID:828317
PubChem ID:46739487
Update Time:2025-08-05

2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester Chemical and Physical Properties

Names and Identifiers

    • 4,4,5,5-Tetramethyl-2-(2-nitro-5-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane
    • 2-Nitro-5-trifluoromethylphenylboronic acid, pinacol ester
    • 4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
    • 2-Nitro-5-trifluoromethylphenylboronic acid,pinacol ester
    • DTXSID00675090
    • 1218791-26-4
    • YPGBEGMKLJECCM-UHFFFAOYSA-N
    • 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-
    • MFCD12756467
    • CS-0442743
    • AKOS022172746
    • 2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester
    • MDL: N180391
    • Inchi: 1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)9-7-8(13(15,16)17)5-6-10(9)18(19)20/h5-7H,1-4H3
    • InChI Key: YPGBEGMKLJECCM-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(B2OC(C)(C)C(C)(C)O2)C=1)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 317.10500
  • Monoisotopic Mass: 317.1046226g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 434
  • 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: 64.3?2

Experimental Properties

  • PSA: 64.28000
  • LogP: 3.43600

2-Nitro-5-trifluoromethylphenylboronic 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%

2-Nitro-5-trifluoromethylphenylboronic Acid Pinacol Ester Pricemore >>

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Chemenu
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