8.01636
Ethyl bromoacetate
for synthesis
別名:
Ethyl bromoacetate, Bromoacetic acid ethyl ester
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この商品について
実験式（ヒル表記法）:
C4H7BrO2
CAS番号:
分子量:
167.00
UNSPSC Code:
12352108
EC Index Number:
203-290-9
NACRES:
NA.22
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
vapor pressure
4.5 hPa ( 20 °C)
Quality Segment
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
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
Density (d 20 °C/ 4 °C): 1.500 - 1.510
Identity (IR): passes test
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signalword
Danger
Hazard Classifications
Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 3
保管分類
3 - Flammable liquids
wgk
WGK 3
flash_point_f
116.6 °F - closed cup
flash_point_c
47 °C - closed cup
適用法令
試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。
Poisonous substance
pdsc
Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid
fsl
Substances Subject to be Indicated Names
ishl_indicated
Substances Subject to be Notified Names
ishl_notified