8.01636

Ethyl bromoacetate

for synthesis

• 동의어(들): Ethyl bromoacetate, Bromoacetic acid ethyl ester
• 실험식(Hill 표기법): C₄H₇BrO₂
• CAS Number: 105-36-2
• Molecular Weight: 167.00
• MDL number: MFCD00000191
• UNSPSC 코드: 12352108
• EC 인덱스 번호: 203-290-9
• NACRES: NA.22

속성

• vapor pressure: 4.5 hPa ( 20 °C)
• Quality Level: 200
• 분석: ≥98.0% (GC)
• 형태: liquid
• bp: 158-161 °C/1013 hPa
• mp: -38 °C
• 전이 온도: flash point 50 °C
• density: 1.50 g/cm³ at 20 °C
• 저장 온도: 2-30°C
• InChI: 1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
• InChI key: PQJJJMRNHATNKG-UHFFFAOYSA-N

설명

애플리케이션

• 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).

분석 메모

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

안전성 정보

• 픽토그램: GHS02,GHS06
• 신호어: Danger
• 유해 및 위험 성명서: H226 - H300 + H310 + H330
• 예방조치 성명서: 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
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point (°F): 116.6 °F - closed cup
• Flash Point (°C): 47 °C - closed cup