Cas no 54064-39-0 (Ethyl 3-methyl-2-nitrobenzoate)

Ethyl 3-methyl-2-nitrobenzoate is a nitroaromatic ester compound with the molecular formula C??H??NO?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both ester and nitro functional groups enhances its reactivity, enabling selective transformations such as reductions or nucleophilic substitutions. Its structural features, including the methyl substituent, contribute to stability and controlled reactivity in synthetic pathways. The compound is typically characterized by high purity and consistent performance, making it suitable for research and industrial applications. Proper handling is advised due to potential sensitivity to heat and shock.
Ethyl 3-methyl-2-nitrobenzoate structure
54064-39-0 structure
Product Name:Ethyl 3-methyl-2-nitrobenzoate
CAS No:54064-39-0
MF:C10H11NO4
MW:209.198642969131
MDL:MFCD11111006
CID:1038916
PubChem ID:20093011
Update Time:2025-06-07

Ethyl 3-methyl-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-methyl-2-nitrobenzoate
    • 2-Nitro-3-methyl-benzoesaeure-aethylester
    • AK106987
    • ANW-61820
    • CTK8B9012
    • KB-253021
    • SureCN6656676
    • Ethyl3-methyl-2-nitrobenzoate
    • SCHEMBL6656676
    • CS-0083371
    • AKOS008948396
    • GORJIFRUPPQKPQ-UHFFFAOYSA-N
    • DTXSID70602313
    • 3-Methyl-2-nitro-benzoic acid ethyl ester
    • 54064-39-0
    • AS-8489
    • MFCD11111006
    • DB-108823
    • MDL： MFCD11111006
    • Inchi： 1S/C10H11NO4/c1-3-15-10(12)8-6-4-5-7(2)9(8)11(13)14/h4-6H,3H2,1-2H3
    • InChI Key： GORJIFRUPPQKPQ-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=CC=CC(C)=C1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.06883
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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: 2.3
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 69.44

Ethyl 3-methyl-2-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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 ￡40.00 2022-02-28
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TRC
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ethyl 3-methyl-2-nitrobenzoate
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 $ 50.00 2022-06-05
TRC
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 $ 70.00 2022-06-05
TRC
E572515-2.5g
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Chemenu
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Apollo Scientific
OR110352-1g
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 ￡55.00 2025-02-19
Apollo Scientific
OR110352-5g
Ethyl 3-methyl-2-nitrobenzoate
 54064-39-0
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