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Ethyl 4-bromobutyrate - 90%, high purity , CAS No.2969-81-5

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Ethyl 4-bromobutyrate - 90%, high purity , CAS No.2969-81-5

7 Citations

COA

Grade & Purity:

≥90%

Cas Number: 2969-81-5
Molecular Weight: 195.05
Beilstein Registry Number: 1749700
EC Number: 221-005-6
MDL number: MFCD00000259
PubChem CID: 76300

In stock

Item Number

E639064

Grouped product items
SKU	Size	Availability	Price	Qty
E639064-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$128.90

Basic Description

Synonyms	ethyl-4-bromobutanoate \| ethyl4-bromobutanoate \| F0001-0919 \| Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)- \| FT-0626276 \| Tadol \| ethyl 4- bromobutyrate \| ethyl 4bromobutyrate \| Ethyl 4-bromobutyrate \| ethyl
Specifications & Purity	≥90%
Shipped In	Normal
Product Description	Ethyl 4-bromobutyrate has been used as a building block for the synthesis of firefly luciferase inhibitor-conjugated peptide derivatives, and as a reagent for poly(2,6-dimethyl-1,4-phenylene oxide) and thieno[2,3-b]-azepin-4-ones synthesis. A versatile building block and synthesis reagent

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 4-bromobutanoate
INCHI	InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey	XBPOBCXHALHJFP-UHFFFAOYSA-N
Smiles	CCOC(=O)CCCBr
Isomeric SMILES	CCOC(=O)CCCBr
WGK Germany	3
UN Number	3272
Molecular Weight	195.05
Beilstein	1749700
Reaxy-Rn	1749700
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749700&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
J2318822	Certificate of Analysis	Oct 24, 2023	E639064

Chemical and Physical Properties

Solubility	Immiscible with water.
Sensitivity	light sensitive
Refractive Index	1.456
Flash Point(°F)	195.8 °F
Flash Point(°C)	90℃
Boil Point(°C)	80-82 °C/10 mmHg
Molecular Weight	195.050 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	193.994 Da
Monoisotopic Mass	193.994 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yilin Peng, Yaqi Jin, Di Sun, Zihui Jin, Qiyang Zhao, Yue He, Bining Jiao, Yongliang Cui, Yaohai Zhang. (2023) Monoclonal antibody-based icELISA for sensitive monitoring fenpyroximate residue by hydrolysis conversion. TALANTA, (125288).
2. Zili Li, Zhiqun Lin. (2021) Self-Assembly of Bolaamphiphiles into 2D Nanosheets via Synergistic and Meticulous Tailoring of Multiple Noncovalent Interactions. ACS Nano, 15 (2): (3152–3160).
3. Caixing Wang, Bo Yu, Yuzhu Liu, Huaizhu Wang, Zewen Zhang, Congxin Xie, Xianfeng Li, Huamin Zhang, Zhong Jin. (2021) N-alkyl-carboxylate-functionalized anthraquinone for long-cycling aqueous redox flow batteries. Energy Storage Materials, 36 (417).
4. Wensi Li, Shengyu Feng. (2021) New Functionalized Ionic Liquids Based on POSS for the Detection of Fe3+ Ion. Polymers, 13 (2): (196).
5. Kai Yao,Kai Wen,Wenchong Shan,Sanlei Xie,Tao Peng,Jianyi Wang,Haiyang Jiang,Bing Shao. (2018-02-25) Development of an immunoaffinity column for the highly sensitive analysis of bisphenol A in 14 kinds of foodstuffs using ultra-high-performance liquid chromatography tandem mass spectrometry.. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1080 (50-58).
6. Xingdong Yang,Jifei Yang,Yinbiao Wang,Lili Li,Zhongke Sun,Zonghao Yue,Fengshou Tian,Le He,Xiaofei Hu. (2018-11-14) A Lateral Flow Immunochromato-graphic Strip Test for Rapid Detection of Oseltamivir Phosphate in Egg and Chicken Meat.. Scientific reports, 8 ((1)): (16680-16680).
7. Mingyi Guan, Hui Li, Man Tu, Chenchen Fu, Xiyu Yang, Feng Wang. (2024) A novel fluorescent “Off-On” probe based on phenanthro[9,10-d]imidazole conjugated polymers (PIPF) for Cr3+ detection with high selectivity and sensitivity. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 311 (123988).

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