Ethyl 3-bromopropionate - ≥98% , CAS No.539-74-2

CAS: 539-74-2 Cat. No.: E106956 분자식: C5H9BrO2 분자량: 181.03 Beilstein Registry Number: 1700933 EC 번호: 208-724-0
주문 가능
GRADE & PURITY ≥98%
Synonyms
W-105688 | F11254 | Ethyl beta-bromopropionate | FT-0615242 | UNII-9B28G9S1JV | SCHEMBL212144 | DTXSID9060235 | .beta.-Bromopropionic acid ethyl ester | 3-Bromopropionic acid ethyl ester | 3-bromo-propionic acid ethyl ester | Ethyl 3-bromopropionate, 98%
Storage
Protected from light,Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
5g
E106956-5g
2 재고 있음
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US$9.90

US$14.90
저장 US$5.00 (33.56%)
10g
E106956-10g
주문제작 · 8~12주

US$12.90

US$19.90
저장 US$7.00 (35.18%)
25g
E106956-25g
3 재고 있음
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US$15.90

US$23.90
저장 US$8.00 (33.47%)
100g
E106956-100g
2 재고 있음
—

US$53.90

US$80.90
저장 US$27.00 (33.37%)
500g
E106956-500g
1 재고 있음
1 재고 있음

US$99.90

US$149.90
저장 US$50.00 (33.36%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Ethyl 3-bromopropionate was used in the preparation of (3′,4′-dimethoxyphenyl)-5-oxopentanoic acid.

Specifications

동의어
W-105688 | F11254 | Ethyl beta-bromopropionate | FT-0615242 | UNII-9B28G9S1JV | SCHEMBL212144 | DTXSID9060235 | .beta.-Bromopropionic acid ethyl ester | 3-Bromopropionic acid ethyl ester | 3-bromo-propionic acid ethyl ester | Ethyl 3-bromopropionate, 98%
사양 및 순도
≥98%
보관 조건
Protected from light,Room temperature
배송
Normal
순수함
≥98%
이름과 식별자
Pubchem Sid508808995
정식 스마일CCOC(=O)CCBr
IUPAC Nameethyl 3-bromopropanoate
InChIKeyFQTIYMRSUOADDK-UHFFFAOYSA-N
INCHI1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
이성체 SMILES CCOC(=O)CCBr
WGK 독일 3
분자량 181.03
Beilstein 1700933
Reaxy-Rn 1700933
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700933&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
분류Carboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentCarboxylic acid esters
Alternative Parents Monocarboxylic acids and derivatives  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
설명This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate Type날짜항목
I2502038Certificate of AnalysisSep 09, 2025 E106956
H2504104Certificate of AnalysisAug 08, 2025 E106956
G2127173Certificate of AnalysisJan 22, 2025 E106956
G2127175Certificate of AnalysisJan 22, 2025 E106956
I1829126Certificate of AnalysisFeb 20, 2024 E106956
G2127172Certificate of AnalysisMay 09, 2023 E106956
I2217290Certificate of AnalysisJul 29, 2022 E106956
I2217291Certificate of AnalysisJul 29, 2022 E106956
I2217292Certificate of AnalysisJul 29, 2022 E106956
I2217293Certificate of AnalysisJul 29, 2022 E106956
화학 및 물리적 특성
용해성Soluble in water, alcohol, chloroform, benzene.
감도Light sensitive.
굴절률1.4569
발화점(°F)158 °F
발화점(°C)79℃
끓는점(°C)135-136°C
분자량181.030 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass179.979 Da
Monoisotopic Mass179.979 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
참고 문헌
1. Xinping Hu, Chuhang Zhou, Leqi Wang, Qi Liu, Yining Ma, Yingwei Tang, Xiaoxiao Wang, Kanghao Chen, Xinyu Wang, Yan Liu.  (2023)  Procedurally Targeted Delivery of Antitumor Drugs Using FAPα-Responsive TPGS Dimer-Based Flower-like Polymeric Micelles.  ACS Applied Bio Materials,      [PMID:37702706] [10.1021/acsabm.3c00543]
2. Chuhang Zhou, Xinping Hu, Qi Liu, Leqi Wang, Yuanhang Zhou, Yao Jin, Yining Ma, Yan Liu.  (2021)  Stromal Barrier-Dismantled Nanodrill-Like and Cancer Cell-Targeted pH-Responsive Polymeric Micelles for Further Enhancing the Anticancer Efficacy of Doxorubicin.  ACS Biomaterials Science & Engineering,      [PMID:34761919] [10.1021/acsbiomaterials.1c01131]
3. Wensi Li, Shengyu Feng.  (2021)  New Functionalized Ionic Liquids Based on POSS for the Detection of Fe3+ Ion.  Polymers,  13  (2): (196).  [PMID:33430471] [10.3390/polym13020196]
4. Chuyu He, Yao Jin, Yunqiang Deng, Yang Zou, Shidi Han, Chuhang Zhou, Yuanhang Zhou, Yan Liu.  (2020)  Efficient Oral Delivery of Poorly Water-Soluble Drugs Using Carnitine/Organic Cation Transporter 2-Mediated Polymeric Micelles.  ACS Biomaterials Science & Engineering,      [PMID:33455346] [10.1021/acsbiomaterials.0c00020]
5. Zijian Chen, Kai Zhou, Wuzu Ha, Peihong Chen, Huijun Fu, Yudong Shen, Yuanming Sun, Zhenlin Xu.  (2019)  Development of a low-cost, simple, fast and quantitative lateral-flow immunochromatographic assay (ICA) strip for melatonin in health foods.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2019.1602112]
6. Zhao Xu, Yin Guohui, Jin Di, Yan Xilong, Li Yang, Chen Ligong.  (2015)  A Sensitive Colorimetric and Ratiometric Chemosensor for Trivalent Metal Cations.  JOURNAL OF FLUORESCENCE,  25  (2): (327-333).  [PMID:25663271] [10.1007/s10895-015-1513-5]
7. Xu Zhao, Ruisong Wei, Ligong Chen, Di Jin, Xilong Yan.  (2014)  Glucosamine modified near-infrared cyanine as a sensitive colorimetric fluorescent chemosensor for aspartic and glutamic acid and its applications.  NEW JOURNAL OF CHEMISTRY,  38  (10): (4791-4798).  [PMID:] [10.1039/C4NJ00266K]
8. Gao Yajie, Zhang Chao, Zhou Yanxia, Li Jinwen, Zhao Lei, Li Yushu, Liu Yan, Li Xinru.  (2015)  Endosomal pH-Responsive Polymer-Based Dual-Ligand-Modified Micellar Nanoparticles for Tumor Targeted Delivery and Facilitated Intracellular Release of Paclitaxel.  PHARMACEUTICAL RESEARCH,  32  (8): (2649-2662).  [PMID:25676595] [10.1007/s11095-015-1650-1]
9. Huanhuan Liu, Xiaolei Fan, Jingyan Huang, ZiXu Wang, Runli Li, Ruoyu Li, Bo Yang, Yan Wang.  (2026)  Biomimetic chondroitin sulfate synergized with polyzwitterion system induced collagen matrix remineralization for dentin hypersensitivity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174496]
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