Cas no 5833-18-1 (Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate)

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate is a high-purity organic compound primarily utilized in specialized chemical synthesis and research applications. Its structure, featuring two 2,4-dinitrophenyl groups, contributes to its reactivity in nucleophilic substitution and condensation reactions. The compound is valued for its stability under controlled conditions and its role as an intermediate in the preparation of more complex aromatic derivatives. Its ester functionality enhances solubility in organic solvents, facilitating its use in experimental protocols. Due to its nitro-substituted aromatic rings, it may also serve as a precursor in energetic materials research. Proper handling is essential, given the potential sensitivity of nitroaromatic compounds.
Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate structure
5833-18-1 structure
Product Name:Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate
CAS No:5833-18-1
MF:C16H12N4O10
MW:420.2872838974
MDL:MFCD00051351
CID:371965
PubChem ID:87563804
Update Time:2025-11-01

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester
    • Ethyl Bis(2,4-dinitrophenyl)acetate
    • ethyl 2,2-bis(2,4-dinitrophenyl)acetate
    • BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER
    • Ethyl-bis(2,4-dinitrophenyl)acetate
    • Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
    • Benzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
    • NSC8659
    • C16H12N4O10
    • BRN 2493327
    • Acetic acid,4-dinitrophenyl)-, ethyl ester
    • 3-09-00-03315 (Beilstein Handbook Reference)
    • D88697
    • AKOS003234756
    • NS00033905
    • DTXSID3064017
    • Benzeneacetic acid,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
    • NSC 8659
    • ethylbis(2,4-dinitrophenyl) acetate
    • EINECS 227-415-1
    • B0817
    • SCHEMBL546884
    • BIS(2,4-DINITROPHENYL)ACETICACIDETHYLESTER
    • NSC-8659
    • 5833-18-1
    • MFCD00051351
    • CS-0453887
    • LS-14466
    • CMVIALRRHVVWIW-UHFFFAOYSA-N
    • bis(2,4-dinitrophenyl) acetic acid ethyl ester
    • Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester (9CI)
    • DTXCID5042370
    • Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate
    • MDL: MFCD00051351
    • Inchi: 1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3
    • InChI Key: CMVIALRRHVVWIW-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])=O
    • BRN: 2493327

Computed Properties

  • Exact Mass: 420.05500
  • Monoisotopic Mass: 420.055343
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 644
  • 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: 3.1
  • Topological Polar Surface Area: 210

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.556
  • Melting Point: 154.0 to 157.0 deg-C
  • Boiling Point: 629.3°Cat760mmHg
  • Flash Point: 269.3°C
  • Refractive Index: 1.641
  • Solubility: Solubility Insoluble in water; soluble in ethanol, acetone
  • PSA: 209.58000
  • LogP: 5.10720
  • Solubility: Not determined
  • pka: 8.3(at 25℃)
  • PH: Colorless (7.5) to deep blue (9.1)

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate Security Information

  • Symbol: GHS02
  • Prompt:warning
  • Hazard Statement: H228
  • Warning Statement: P210-P240-P241-P280
  • Hazardous Material transportation number:1325
  • RTECS:AF5650000
  • HazardClass:4.1
  • PackingGroup:III

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate Pricemore >>

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Additional information on Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate (CAS No. 5833-18-1): A Comprehensive Overview

Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate (CAS No. 5833-18-1) is a significant compound in the field of organic chemistry and pharmaceutical research. This compound is characterized by its unique molecular structure and its potential applications in various scientific and industrial domains. The chemical formula of Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate is C16H16N4O8, and it has a molecular weight of 396.31 g/mol. The compound is a yellow crystalline solid at room temperature and is soluble in common organic solvents such as ethanol and acetone.

The synthesis of Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate typically involves the reaction of 2,4-dinitrobenzoyl chloride with ethyl acetate in the presence of a suitable base. This reaction pathway has been extensively studied and optimized to achieve high yields and purity levels. Recent advancements in green chemistry have led to the development of more environmentally friendly methods for synthesizing this compound, such as the use of catalytic systems and microwave-assisted reactions.

In the context of pharmaceutical research, Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate has shown potential as an intermediate in the synthesis of various bioactive molecules. Its unique dinitrophenyl groups make it a valuable starting material for the preparation of compounds with specific biological activities. For instance, studies have demonstrated that derivatives of Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate exhibit anti-inflammatory and anti-cancer properties. These findings have sparked interest in exploring the therapeutic potential of this compound and its derivatives.

The physical and chemical properties of Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate are well-documented in the scientific literature. It has a melting point of approximately 95-97°C and a boiling point around 300°C under reduced pressure. The compound is stable under normal laboratory conditions but should be stored away from strong oxidizing agents to prevent decomposition. Its spectral characteristics, including UV-Vis absorption and NMR spectra, have been thoroughly characterized, providing valuable data for analytical purposes.

In addition to its applications in pharmaceutical research, Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate has found use in other areas such as materials science and analytical chemistry. For example, it can be used as a reference standard in high-performance liquid chromatography (HPLC) for the quantification of related compounds. The compound's ability to form stable complexes with certain metal ions has also been explored for potential applications in catalysis and sensor development.

The safety profile of Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate is an important consideration for its handling and use. While it is not classified as a hazardous substance under current regulations, appropriate safety measures should be taken to ensure safe handling and storage. This includes wearing personal protective equipment (PPE) such as gloves and goggles when handling the compound and ensuring adequate ventilation in the laboratory environment.

Recent research has also focused on the environmental impact of compounds like Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate. Studies have investigated its biodegradability and potential effects on aquatic ecosystems. These findings are crucial for assessing the long-term sustainability of using this compound in industrial processes.

In conclusion, Ethyl 2,2-Bis(2,4-dinitrophenyl)acetate (CAS No. 5833-18-1) is a versatile compound with significant potential in various scientific and industrial applications. Its unique chemical structure and properties make it an important intermediate in pharmaceutical research and a valuable tool in analytical chemistry. Ongoing research continues to uncover new applications and improve our understanding of this fascinating compound.

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