8.01636

Ethyl bromoacetate

for synthesis

• Sinônimo(s): Ethyl bromoacetate, Bromoacetic acid ethyl ester
• Fórmula empírica (Notação de Hill): C₄H₇BrO₂
• Número CAS: 105-36-2
• Peso molecular: 167.00
• Número MDL: MFCD00000191
• Código UNSPSC: 12352108
• Número do índice EC: 203-290-9
• NACRES: NA.22

Propriedades

• pressão de vapor: 4.5 hPa ( 20 °C)
• Nível de qualidade: 200
• Ensaio: ≥98.0% (GC)
• Formulário: liquid
• p.e.: 158-161 °C/1013 hPa
• pf: -38 °C
• temperatura de transição: flash point 50 °C
• densidade: 1.50 g/cm³ at 20 °C
• temperatura de armazenamento: 2-30°C
• cadeia de caracteres SMILES: BrCC(=O)OCC
• InChI: 1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
• chave InChI: PQJJJMRNHATNKG-UHFFFAOYSA-N

Descrição

Aplicação

• Synthesis and anticancer potential of thiazolidinone and thiadiazole derivatives: Ethyl bromoacetate was utilized in the synthesis of new thiazolidinone and thiadiazole derivatives, which were subsequently evaluated for their anticancer properties through molecular docking studies. This application highlights its role in the development of potential anticancer agents (Saeed et al., 2024).
• Development of pyrazolopyranopyrimidine derivatives: Research on the synthesis of novel pyrazolopyranopyrimidine derivatives involved ethyl bromoacetate, focusing on their structural and dynamic properties using crystallography, DFT calculations, and molecular dynamics simulations, contributing to the field of medicinal chemistry (Ait Elmachkouri et al., 2023).
• Eco-friendly insecticidal derivatives for olive pest control: Ethyl bromoacetate was employed in the design and synthesis of pyridine and thiazole derivatives aimed at providing eco-friendly insecticidal solutions for controlling olive pests, demonstrating its utility in agricultural chemistry (Elkanzi et al., 2023).
• DNA-compatible synthesis of thiazolidione derivatives: A study used ethyl bromoacetate in a DNA-compatible three-component annulation and Knoevenagel condensation process to synthesize thiazolidione derivatives, showcasing its versatility in complex organic syntheses (Wang et al., 2023).
• Accidental discovery of macrocycles: Ethyl bromoacetate played a role in the serendipitous discovery of new macrocycles containing amide, amino, and carbamate groups during a residue separation process, illustrating its potential in unexpected synthetic outcomes (Horita et al., 2023).

Nota de análise

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.500 - 1.510
Identity (IR): passes test

Informações de segurança

• Pictogramas: GHS02,GHS06
• Palavra indicadora: Danger
• Frases de perigo: H226 - H300 + H310 + H330
• Declarações de precaução: P210 - P233 - P264 - P280 - P303 + P361 + P353 - P304 + P340 + P310
• Classificações de perigo: Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 3
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 116.6 °F - closed cup
• Ponto de fulgor (°C): 47 °C - closed cup