Cas no 176200-91-2 (2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione)

2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione is a fluorinated isoindole derivative characterized by its chloroethyl functional group, which enhances its reactivity in synthetic applications. This compound is particularly valuable in pharmaceutical and agrochemical research as a versatile intermediate for constructing complex molecules. The presence of both chloro and fluoro substituents contributes to its electrophilic properties, facilitating nucleophilic substitution reactions. Its stable isoindole-1,3-dione core ensures compatibility with a range of reaction conditions, making it suitable for multi-step syntheses. The compound’s well-defined structure and high purity allow for precise modifications, supporting its use in the development of biologically active compounds.
2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione structure
176200-91-2 structure
Product Name:2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione
CAS No:176200-91-2
MF:C10H7ClFNO2
MW:227.619485139847
MDL:MFCD06796531
CID:112269
PubChem ID:25417104
Update Time:2025-10-29

2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Chloroethyl)-5-fluoroisoindoline-1,3-dione
    • 1H-Isoindole-1,3(2H)-dione,2-(2-chloroethyl)-5-fluoro-
    • 2-(2-CHLORO-ETHYL)-5-FLUORO-ISOINDOLE-1,3-DIONE
    • A13973
    • A-1837
    • AG-E-26592
    • CTK4D6107
    • KB-220903
    • S14-2437
    • 1H-Isoindole-1,3(2H)-dione, 2-(2-chloroethyl)-5-fluoro-
    • DTXSID20649596
    • 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
    • MFCD06796531
    • AKOS022181268
    • SB64222
    • AS-33881
    • 2-(2-Chloroethyl)-5-fluoro-1H-isoindole-1,3(2H)-dione
    • 176200-91-2
    • CS-0171487
    • 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione
    • MDL: MFCD06796531
    • Inchi: 1S/C10H7ClFNO2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4H2
    • InChI Key: KYATUXRRFOJLJB-UHFFFAOYSA-N
    • SMILES: ClCCN1C(C2C=CC(=CC=2C1=O)F)=O

Computed Properties

  • Exact Mass: 227.01501
  • Monoisotopic Mass: 227.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 297
  • 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: 37.4A^2

Experimental Properties

  • Density: 1.461
  • Boiling Point: 340.2°Cat760mmHg
  • Flash Point: 159.6°C
  • Refractive Index: 1.579
  • PSA: 37.38

2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione Security Information

2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione Pricemore >>

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2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione Suppliers

Amadis Chemical Company Limited
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(CAS:176200-91-2)2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione
Order Number:A13973
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):191.0

Additional information on 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione

Compound CAS No. 176200-91-2: 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione

The compound CAS No. 176200-91-2, also known as 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione, is a highly specialized organic compound with unique chemical properties and potential applications in various fields. This compound belongs to the class of isoindoles, which are bicyclic aromatic compounds with a wide range of uses in pharmaceuticals, agrochemicals, and materials science. The isoindole core of this molecule is further substituted with a chlorine atom and a fluoro group, making it a valuable intermediate in organic synthesis.

The structure of 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione consists of an isoindole ring system with two ketone groups at positions 1 and 3. The substituents at positions 2 and 5 are a 2-chloroethyl group and a fluoro group, respectively. These substituents contribute to the compound's reactivity and selectivity in various chemical reactions. The presence of the chloroethyl group introduces electron-withdrawing effects, while the fluoro group enhances the molecule's stability and solubility properties.

Recent studies have highlighted the potential of CAS No. 176200-91-2 as a precursor in the synthesis of bioactive molecules. Researchers have explored its role in the development of novel antibiotics and anticancer agents. For instance, its ability to form stable complexes with metal ions has been leveraged in designing coordination polymers with applications in drug delivery systems.

In addition to its role in pharmaceuticals, 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione has shown promise in materials science. Its aromaticity and conjugated system make it an ideal candidate for use in organic electronics. Recent advancements have demonstrated its potential as a building block for organic semiconductors and light-emitting materials.

The synthesis of this compound involves multi-step reactions that require precise control over reaction conditions to achieve high yields and purity. Common synthetic routes include nucleophilic substitution reactions followed by cyclization steps to form the isoindole core. The introduction of substituents at specific positions is critical for tuning the compound's properties for desired applications.

In terms of physical properties, CAS No. 176200-91-2 exhibits a melting point of approximately 180°C and is soluble in common organic solvents such as dichloromethane and THF. Its stability under thermal and photochemical conditions has been extensively studied, making it suitable for use in various industrial processes.

The demand for this compound has grown significantly due to its versatility across multiple industries. Pharmaceutical companies are increasingly utilizing it as an intermediate in drug discovery programs targeting infectious diseases and cancer. Meanwhile, materials scientists are exploring its potential in developing advanced electronic materials with improved performance characteristics.

In conclusion, CAS No. 176200-91-2, or 2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione, is a versatile compound with immense potential across various fields. Its unique chemical structure and functional groups make it an invaluable tool in organic synthesis, pharmaceutical development, and materials science. As research continues to uncover new applications for this compound, its significance in both academic and industrial settings is expected to grow further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:176200-91-2)2-(2-Chloro-ethyl)-5-fluoro-isoindole-1,3-dione
A13973
Purity:99%
Quantity:1g
Price ($):191.0
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