Cas no 35112-27-7 (Ethyl 2,5-dichlorobenzoate)

Ethyl 2,5-dichlorobenzoate is a chlorinated benzoate ester with the molecular formula C9H8Cl2O2. It is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The compound features two chlorine substituents on the aromatic ring, enhancing its reactivity and utility in electrophilic substitution and coupling reactions. Its ester group provides versatility for further functionalization, making it valuable in fine chemical manufacturing. Ethyl 2,5-dichlorobenzoate exhibits stability under standard conditions and is compatible with a range of solvents, facilitating its use in diverse synthetic applications. The product is typically supplied in high purity to ensure consistent performance in research and industrial processes.
Ethyl 2,5-dichlorobenzoate structure
Ethyl 2,5-dichlorobenzoate structure
Product Name:Ethyl 2,5-dichlorobenzoate
CAS No:35112-27-7
MF:C9H8Cl2O2
MW:219.06462097168
MDL:MFCD00013636
CID:89127
PubChem ID:87568988
Update Time:2025-05-20

Ethyl 2,5-dichlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,5-dichlorobenzoate
    • 2,5-Dichlorobenzoic acid ethyl ester
    • 2,4-DICYCLOHEXYL-2-METHYLPENTANE
    • 2,5-Dichlor-benzoesaeure-aethylester
    • ethyl ester of 2,5-CBA
    • Ethyl-2,5-dichlorbenzoat
    • Ethyl-2,5-dichlorobenzoate
    • AS-58766
    • FZ389J9CTV
    • JSZYWIKNIZKJAN-UHFFFAOYSA-N
    • Benzoic acid, 2,5-dichloro-, ethyl ester
    • EINECS 252-373-6
    • J-520675
    • InChI=1/C9H8Cl2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
    • SCHEMBL11225504
    • NS00029774
    • JSZYWIKNIZKJAN-UHFFFAOYSA-
    • FT-0610305
    • MFCD00013636
    • D2566
    • A822574
    • SY048697
    • 35112-27-7
    • CS-W009518
    • DTXSID00188610
    • AKOS008947798
    • DTXCID60111101
    • DB-048729
    • MDL: MFCD00013636
    • Inchi: 1S/C9H8Cl2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
    • InChI Key: JSZYWIKNIZKJAN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C(=O)OCC)Cl
    • BRN: 2614480

Computed Properties

  • Exact Mass: 217.99000
  • Monoisotopic Mass: 217.99
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 185
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.305
  • Boiling Point: 281 oC
  • Flash Point: 117 oC
  • Refractive Index: 1.5360
  • PSA: 26.30000
  • LogP: 3.17010
  • Solubility: Not determined

Ethyl 2,5-dichlorobenzoate Security Information

Ethyl 2,5-dichlorobenzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Ethyl 2,5-dichlorobenzoate Pricemore >>

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Ethyl 2,5-dichlorobenzoate Production Method

Ethyl 2,5-dichlorobenzoate Related Literature

  • 1. 937. The cumulative effect of substituents in an aromatic nucleus on reactions of the side-chain: the effect of the chlorine as substituent on the reaction of benzoyl chlorides with aniline, on the alkaline hydrolysis of ethyl benzoates, and on the ionisation of benzoic acids
    J. G. Mather,J. Shorter J. Chem. Soc. 1961 4744

Additional information on Ethyl 2,5-dichlorobenzoate

Ethyl 2,5-Dichlorobenzoate: A Comprehensive Overview

Ethyl 2,5-dichlorobenzoate (CAS No. 35112-27-7) is a chemical compound that has garnered significant attention in various scientific and industrial applications. This compound is a derivative of benzoic acid, where the hydroxyl group is replaced by an ethoxy group, and two chlorine atoms are substituted at the 2 and 5 positions of the benzene ring. The Ethyl 2,5-dichlorobenzoate structure is characterized by its aromatic ring with two chlorine substituents and an ester functional group, making it a versatile compound with diverse applications.

The CAS No. 35112-27-7 designation uniquely identifies Ethyl 2,5-dichlorobenzoate in chemical databases, ensuring consistency in its identification across scientific literature and industrial records. This compound is widely recognized for its role in organic synthesis, particularly in the development of agrochemicals and pharmaceutical intermediates. Recent studies have highlighted its potential as a precursor for synthesizing bioactive compounds with antimicrobial and pesticidal properties.

One of the most notable aspects of Ethyl 2,5-dichlorobenzoate is its stability under various chemical conditions. Research conducted in 2023 has demonstrated that this compound exhibits remarkable thermal stability, retaining its structure even under elevated temperatures commonly encountered in industrial processes. This property makes it an ideal candidate for use in high-temperature reactions and formulations.

In terms of synthesis, Ethyl 2,5-dichlorobenzoate can be prepared through several methods, including Friedel-Crafts acylation and direct esterification. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly production processes. For instance, the use of solid acid catalysts has been shown to significantly improve yields while reducing waste generation.

Ethyl 2,5-dichlorobenzoate's applications span multiple industries. In agriculture, it serves as a key intermediate in the synthesis of fungicides and herbicides due to its ability to inhibit fungal growth and disrupt plant metabolic pathways. In the pharmaceutical sector, it is employed as a building block for developing drugs targeting various diseases, including cancer and infectious disorders.

Recent studies have also explored the potential of Ethyl 2,5-dichlorobenzoate in materials science. Researchers have investigated its use as a monomer in polymer synthesis, where its aromatic structure contributes to enhanced mechanical properties and thermal resistance of the resulting polymers.

From an environmental perspective, understanding the fate and transport of Ethyl 2,5-dichlorobenzoate in natural systems is crucial for assessing its ecological impact. Studies have shown that this compound undergoes rapid degradation under UV light and microbial action, minimizing its persistence in aquatic environments.

In conclusion, Ethyl 2,5-dichlorobenzoate (CAS No. 35112-27-7) stands as a pivotal compound with multifaceted applications across various fields. Its unique chemical properties, coupled with recent advancements in synthesis and application techniques, underscore its importance in modern chemistry.

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