Cas no 540750-26-3 (6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester)

6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester is a versatile heterocyclic compound with significant applications in organic synthesis and pharmaceutical research. Its structure features a benzisoxazole core functionalized with a nitro group at the 6-position and an ethyl ester at the 3-carboxylic acid position, enhancing its reactivity as an intermediate. This compound is particularly valuable in the synthesis of complex molecules due to its electron-withdrawing nitro group, which facilitates nucleophilic substitution reactions. The ethyl ester moiety further improves solubility and handling in various organic solvents. Its stability under standard conditions and compatibility with diverse reaction conditions make it a reliable building block for medicinal chemistry, agrochemicals, and materials science. Researchers favor it for constructing fused heterocycles or functionalized aromatic systems.
6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester structure
540750-26-3 structure
Product Name:6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester
CAS No:540750-26-3
MF:C10H8N2O5
MW:236.18092250824
MDL:MFCD20923246
CID:1587002
PubChem ID:66702624
Update Time:2025-07-02

6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-nitro-1,2-benzoxazole-3-carboxylate
    • 6-Nitroanthranilic acid
    • ACMC-209knw
    • Ethyl 6-nitrobenzo[d]isoxazole-3-carboxylate
    • 6-Nitro-anthranilsaeure
    • SureCN283612
    • AC1L3V3T
    • KSC911O8D
    • 2-nitro-6-amino-benzoic acid
    • NSC36953
    • AC1Q5TH7
    • 2-Amino-6-nitro-benzoesaeure
    • 2-amino-6-nitro-benzoic acid
    • 6-Nitro-benz[d]isoxazol-3-carbonsaeure-aethylester
    • 6-nitro-benz[d]isoxazole-3-carboxylic acid ethyl ester
    • 6-Nitroanthranilic acid; ACMC-209knw; Ethyl 6-nitrobenzo[d]isoxazole-3-carboxylate; 6-Nitro-anthranilsaeure; SureCN283612; AC1L3V3T; KSC911O8D; 2-nitro-6-amino-benzoic acid; 6-Nitroanthranilic Acid; 6-nitroanthranilic acid; NSC36953; AC1Q5TH7; 2-Amino-6-nitro-benzoesaeure; 2-amino-6-nitro-benzoic acid; 6-Nitro-benz[d]isoxazol-3-carbonsaeure-aethylester; 6-nitro-benz[d]isoxazole-3-carboxylic acid ethyl ester;
    • 6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester
    • 540750-26-3
    • SB37582
    • Ethyl6-nitrobenzo[d]isoxazole-3-carboxylate
    • CS-0340546
    • A923448
    • SCHEMBL492280
    • 6-Nitrobenzisoxazole-3-carboxylic acid ethyl ester
    • IUOFIXUHTHGITL-UHFFFAOYSA-N
    • 6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester
    • MDL： MFCD20923246
    • Inchi： 1S/C10H8N2O5/c1-2-16-10(13)9-7-4-3-6(12(14)15)5-8(7)17-11-9/h3-5H,2H2,1H3
    • InChI Key： IUOFIXUHTHGITL-UHFFFAOYSA-N
    • SMILES： O1C2C=C(C=CC=2C(C(=O)OCC)=N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 236.04334
  • Monoisotopic Mass: 236.04332136g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 316
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 98.2?2

Experimental Properties

  • PSA: 95.47

6-Nitrobenzisoxazole-3-carboxylic Acid Ethyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester
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 540750-26-3 97%
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56R0643-500mg
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 540750-26-3 97%
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 540750-26-3 97%
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