Cas no 41490-09-9 (3,5-Dichloro-4-propoxybenzoic acid)

3,5-Dichloro-4-propoxybenzoic acid is a halogenated benzoic acid derivative characterized by its distinct substitution pattern, featuring chloro groups at the 3- and 5-positions and a propoxy group at the 4-position. This structural configuration enhances its reactivity and utility as an intermediate in organic synthesis, particularly in the preparation of agrochemicals and pharmaceuticals. The compound's electron-withdrawing chloro groups and alkoxy substituent contribute to its stability and selective reactivity, making it valuable for derivatization and coupling reactions. Its crystalline solid form ensures ease of handling and storage. The product is typically synthesized under controlled conditions to maintain high purity, ensuring consistent performance in research and industrial applications.
3,5-Dichloro-4-propoxybenzoic acid structure
41490-09-9 structure
Product Name:3,5-Dichloro-4-propoxybenzoic acid
CAS No:41490-09-9
MF:C10H10Cl2O3
MW:249.090601444244
MDL:MFCD00662588
CID:327704
PubChem ID:2743076
Update Time:2025-05-24

3,5-Dichloro-4-propoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dichloro-4-propoxybenzoic acid
    • Benzoic acid,3,5-dichloro-4-propoxy-
    • 3,5-dichloro-4-(propyloxy)benzoic acid
    • 3,5-dichloro-4-n-propoxybenzoic acid
    • HMS565M20
    • Oprea1_242647
    • 41490-09-9
    • Maybridge1_008556
    • AKOS002214876
    • MFCD00662588
    • IMSKTSQBDRLEBN-UHFFFAOYSA-N
    • CS-0195285
    • SCHEMBL566358
    • 3,5-dichloro-4-propoxybenzoic acid, AldrichCPR
    • DTXSID30372469
    • CCG-41917
    • E89494
    • FT-0763189
    • Z57908553
    • BRD-K47296961-001-01-9
    • SR-01000631959-1
    • MDL: MFCD00662588
    • Inchi: 1S/C10H10Cl2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
    • InChI Key: IMSKTSQBDRLEBN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)O)C=C(C=1OCCC)Cl

Computed Properties

  • Exact Mass: 248.00100
  • Monoisotopic Mass: 248.0006996g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 3.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.362
  • Melting Point: 129 °C
  • Boiling Point: 353.3°Cat760mmHg
  • Flash Point: 167.4°C
  • Refractive Index: 1.557
  • PSA: 46.53000
  • LogP: 3.48040

3,5-Dichloro-4-propoxybenzoic acid Security Information

  • Hazard Category Code: 22-36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xn

3,5-Dichloro-4-propoxybenzoic 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%

3,5-Dichloro-4-propoxybenzoic acid Pricemore >>

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Additional information on 3,5-Dichloro-4-propoxybenzoic acid

3,5-Dichloro-4-propoxybenzoic Acid: A Comprehensive Overview

3,5-Dichloro-4-propoxybenzoic acid, identified by the CAS number 41490-09-9, is a significant compound in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. The molecule consists of a benzoic acid backbone with substituents at the 3, 4, and 5 positions, specifically two chlorine atoms and a propoxy group. This configuration imparts distinct chemical and physical properties to the compound.

The synthesis of 3,5-dichloro-4-propoxybenzoic acid involves a series of well-established organic reactions, including chlorination and etherification processes. Recent advancements in catalytic methods have enhanced the efficiency and selectivity of these reactions, making the synthesis more environmentally friendly and cost-effective. Researchers have also explored alternative routes using microwave-assisted synthesis, which has shown promising results in reducing reaction times while maintaining product purity.

The structural features of this compound make it highly versatile. The presence of chlorine atoms at the 3 and 5 positions introduces electron-withdrawing effects, which can influence the reactivity of the molecule in various chemical transformations. The propoxy group at the 4 position adds bulk to the molecule and can act as a directing group in further substitution reactions. These properties have been leveraged in drug design, where 3,5-dichloro-4-propoxybenzoic acid serves as a valuable intermediate in the synthesis of bioactive compounds.

In recent studies, this compound has been investigated for its potential as a precursor in pharmaceuticals targeting specific therapeutic areas such as inflammation and infectious diseases. For instance, derivatives of 3,5-dichloro-4-propoxybenzoic acid have shown anti-inflammatory activity by inhibiting key enzymes involved in inflammatory pathways. Additionally, its role as an intermediate in the development of antiviral agents has been explored, with promising results reported in preclinical trials.

The environmental impact of synthesizing and using this compound has also come under scrutiny. Researchers have developed green chemistry approaches to minimize waste and reduce energy consumption during production. These efforts align with global sustainability goals and highlight the importance of responsible chemical manufacturing practices.

In conclusion, 3,5-dichloro-4-propoxybenzoic acid (CAS No: 41490-09-9) is a multifaceted compound with significant potential across various domains of chemistry and pharmacology. Its unique structure and reactivity make it an invaluable tool for researchers seeking innovative solutions in drug development and material science.

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