Cas no 169507-61-3 (2,4,5-Trifluoro-3-ethoxybenzoic acid)

2,4,5-Trifluoro-3-ethoxybenzoic acid is a fluorinated benzoic acid derivative characterized by its trifluoro and ethoxy substituents, which enhance its electronic and steric properties. This compound is commonly employed as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring fluorinated aromatic frameworks. Its structural features contribute to improved metabolic stability and bioavailability in target molecules. The presence of fluorine atoms also facilitates selective reactivity in cross-coupling and nucleophilic substitution reactions. With high purity and consistent performance, it is suitable for research and industrial applications demanding precise functionalization of aromatic systems. Proper handling and storage are recommended due to its reactive carboxylic acid group.
2,4,5-Trifluoro-3-ethoxybenzoic acid structure
169507-61-3 structure
Product Name:2,4,5-Trifluoro-3-ethoxybenzoic acid
CAS No:169507-61-3
MF:C9H7F3O3
MW:220.145293474197
CID:111215
PubChem ID:10632694
Update Time:2025-10-18

2,4,5-Trifluoro-3-ethoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-Trifluoro-3-ethoxybenzoic acid
    • 3-ethoxy-2,4,5-trifluorobenzoic acid
    • Benzoic acid,3-ethoxy-2,4,5-trifluoro-
    • 2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
    • 3-ethoxy-2,4,5-trifluoro-benzoic Acid
    • 2,4,5-Trifluoro-3-ethylbenzoic acid
    • 2,3,4-Trifluoro-3-ethoxybenzoic acid
    • 2,4,5-Trifluoro-3-ethoxy benzoic acid
    • PubChem4579
    • HXAPHOPNZQFBEJ-UHFFFAOYSA-N
    • CM12708
    • AS01910
    • Benzoic acid,3-ethoxy-2,4,5-trifl
    • A20082
    • SCHEMBL8593509
    • DTXSID90442773
    • MFCD08459286
    • AC-4011
    • Z1509555607
    • FT-0655122
    • DS-12484
    • 169507-61-3
    • CS-0061635
    • AKOS015890079
    • EN300-7355189
    • Benzoic acid, 3-ethoxy-2,4,5-trifluoro-
    • 2,4,5-TRIFLUORO-3-ETHOXYBENZOICACID
    • MDL: MFCD08459286
    • Inchi: 1S/C9H7F3O3/c1-2-15-8-6(11)4(9(13)14)3-5(10)7(8)12/h3H,2H2,1H3,(H,13,14)
    • InChI Key: HXAPHOPNZQFBEJ-UHFFFAOYSA-N
    • SMILES: FC1C(C(=O)O)=CC(=C(C=1OCC)F)F

Computed Properties

  • Exact Mass: 220.03500
  • Monoisotopic Mass: 220.03472857g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 46.5
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.419±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 297.437°C at 760 mmHg
  • Flash Point: 133.686°C
  • Refractive Index: 1.485
  • Solubility: Almost insoluble (0.044 g/l) (25 o C),
  • PSA: 46.53000
  • LogP: 2.20080

2,4,5-Trifluoro-3-ethoxybenzoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2,4,5-Trifluoro-3-ethoxybenzoic acid Pricemore >>

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