8.01636

Ethyl bromoacetate

for synthesis

• Synonyme(s) : Ethyl bromoacetate, Bromoacetic acid ethyl ester
• Formule empirique (notation de Hill) : C₄H₇BrO₂
• Numéro CAS: 105-36-2
• Poids moléculaire : 167.00
• UNSPSC Code: 12352108
• EC Index Number: 203-290-9
• NACRES: NA.22
• MDL number: MFCD00000191
• Assay: ≥98.0% (GC)
• Form: liquid

Propriétés

• vapor pressure: 4.5 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥98.0% (GC)
• form: liquid
• bp: 158-161 °C/1013 hPa
• mp: -38 °C
• transition temp: flash point 50 °C
• density: 1.50 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: BrCC(=O)OCC
• InChI: 1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
• InChI key: PQJJJMRNHATNKG-UHFFFAOYSA-N

Description

Application

• 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).

Analysis Note

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

Informations sur la sécurité

• Pictogrammes: GHS02,GHS06
• Mot-clé: Danger
• Codes de danger: H226,H300 + H310 + H330
• Mentions de précaution: P210 - P233 - P264 - P280 - P303 + P361 + P353 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 3
• Classe de stockage: 3 - Flammable liquids
• Que se passe-t-il ?: WGK 3
• Point d'éclair (°F): 116.6 °F - closed cup
• Point d'éclair (°C): 47 °C - closed cup