Cas no 1207453-90-4 (6-fluoro-4-nitro-3H-isobenzofuran-1-one)

6-Fluoro-4-nitro-3H-isobenzofuran-1-one is a fluorinated nitro-substituted isobenzofuranone derivative with applications in organic synthesis and pharmaceutical research. Its key structural features—the fluorine and nitro groups—enhance reactivity, making it a valuable intermediate for constructing complex heterocyclic compounds. The electron-withdrawing properties of the nitro group facilitate nucleophilic substitution reactions, while the fluorine atom can influence metabolic stability and binding affinity in drug design. This compound is particularly useful in the development of bioactive molecules due to its ability to serve as a versatile building block. High purity and consistent quality ensure reliable performance in synthetic workflows.
6-fluoro-4-nitro-3H-isobenzofuran-1-one structure
1207453-90-4 structure
Product Name:6-fluoro-4-nitro-3H-isobenzofuran-1-one
CAS No:1207453-90-4
MF:C8H4FNO4
MW:197.120065689087
MDL:MFCD22370184
CID:824457
PubChem ID:57519176
Update Time:2025-05-27

6-fluoro-4-nitro-3H-isobenzofuran-1-one Chemical and Physical Properties

Names and Identifiers

    • 6-Fluoro-4-nitroisobenzofuran-1(3H)-one
    • 6-Fluoro-4-nitro-2-benzofuran-1(3H)-one
    • 6-Fluoro-4-nitro-3H-isobenzofuran-1-one
    • 6-fluoro-4-nitro-3H-2-benzofuran-1-one
    • C8H4FNO4
    • JBLFHMWQMPVDDL-UHFFFAOYSA-N
    • BCP28456
    • 3623AA
    • FCH1614593
    • EBD2045297
    • LS40324
    • SB18291
    • CM14020
    • AX8237914
    • ST2406492
    • 6-fluoro-4-nitroisobenzofuran-1(3 H)-one
    • FT-0
    • AKOS016006637
    • 1207453-90-4
    • DS-16769
    • NSC-765864
    • DB-023243
    • 6-fluoro-4-nitro-1,3-dihydro-2-benzofuran-1-one
    • SCHEMBL2049186
    • MFCD22370184
    • DTXSID40727007
    • CS-M2038
    • NSC765864
    • SY103271
    • 6-fluoro-4-nitro-3H-isobenzofuran-1-one
    • MDL： MFCD22370184
    • Inchi： 1S/C8H4FNO4/c9-4-1-5-6(3-14-8(5)11)7(2-4)10(12)13/h1-2H,3H2
    • InChI Key： JBLFHMWQMPVDDL-UHFFFAOYSA-N
    • SMILES： FC1C=C(C2COC(C=2C=1)=O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.01200
  • Monoisotopic Mass: 197.01243577g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 277
  • 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: 72.1
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.614±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 414.9°C at 760 mmHg
  • Solubility: Very slightly soluble (0.32 g/l) (25 o C),
  • PSA: 72.12000
  • LogP: 1.92750

6-fluoro-4-nitro-3H-isobenzofuran-1-one Security Information

6-fluoro-4-nitro-3H-isobenzofuran-1-one Customs Data

  • HS CODE：2932209090
  • Customs Data：

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. 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:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-fluoro-4-nitro-3H-isobenzofuran-1-one Pricemore >>

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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6-fluoro-4-nitro-3H-isobenzofuran-1-one Production Method

6-fluoro-4-nitro-3H-isobenzofuran-1-one Related Literature

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