Cas no 139926-23-1 (3-Ethoxythiophene-2-carboxylic acid)

3-Ethoxythiophene-2-carboxylic acid is a heterocyclic compound featuring a thiophene ring substituted with an ethoxy group at the 3-position and a carboxylic acid moiety at the 2-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The ethoxy group enhances solubility and reactivity, while the carboxylic acid functionality allows for further derivatization via esterification, amidation, or other coupling reactions. Its well-defined reactivity profile and stability under standard conditions make it a valuable building block for constructing complex molecular architectures. The compound is typically handled under inert conditions to preserve its integrity.
3-Ethoxythiophene-2-carboxylic acid structure
139926-23-1 structure
Product Name:3-Ethoxythiophene-2-carboxylic acid
CAS No:139926-23-1
MF:C7H8O3S
MW:172.201621055603
MDL:MFCD00205205
CID:91804
PubChem ID:2777652
Update Time:2025-05-28

3-Ethoxythiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Ethoxythiophene-2-carboxylic acid
    • 3-ethoxy-2-thiophenecarboxylic acid
    • 3-Ethoxy-thiophene-2-carboxylic acid
    • HMS2779P24
    • FTKDCOINUAYGTC-UHFFFAOYSA-N
    • HMS552E14
    • A807601
    • EN300-251693
    • 3-ethoxythiophene-2-carboxylate
    • 139926-23-1
    • Maybridge1_003798
    • CHEMBL1706414
    • TS-02343
    • 3-Ethoxythiophene-2-carboxylicacid
    • CS-0163742
    • FT-0615641
    • 2-Thiophenecarboxylicacid,3-ethoxy-
    • DTXSID90380606
    • SCHEMBL1840806
    • MFCD00205205
    • AKOS009157932
    • Z1124714289
    • 3-ethoxythiophene-2-carboxylic acid, AldrichCPR
    • SMR000455984
    • MLS000849966
    • 2-Thiophenecarboxylic acid, 3-ethoxy-
    • DB-042495
    • MDL: MFCD00205205
    • Inchi: 1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
    • InChI Key: FTKDCOINUAYGTC-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1C(=O)O)OCC

Computed Properties

  • Exact Mass: 172.01900
  • Monoisotopic Mass: 172.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: -1
  • XLogP3: 2.4
  • Topological Polar Surface Area: 49.4

Experimental Properties

  • Color/Form: solid
  • Density: 1.3±0.1 g/cm3
  • Melting Point: 121-123°C
  • Boiling Point: 305.3±22.0 °C at 760 mmHg
  • Flash Point: 138.4±22.3 °C
  • PSA: 74.77000
  • LogP: 1.84500
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-Ethoxythiophene-2-carboxylic acid Security Information

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3-Ethoxythiophene-2-carboxylic acid Production Method

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