Basic Description

Synonyms	Methyl 4-bromobutyrate \| methyl 4-bromobutanoate \| 4897-84-1 \| 4-Bromobutyric Acid Methyl Ester \| Br-C3-methyl ester \| METHYL-4-BROMOBUTYRATE \| Butanoic acid, 4-bromo-, methyl ester \| MFCD00041482 \| 4-bromo-butyric acid methyl ester \| EINECS 225-523-3 \| Butyric acid, 4-bromo
Specifications & Purity	≥96%
Shipped In	Normal

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 methyl esters
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid methyl ester - Methyl 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
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

Pubchem Sid	504756623
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756623
IUPAC Name	methyl 4-bromobutanoate
INCHI	InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey	QAWFLJGZSZIZHO-UHFFFAOYSA-N
Smiles	COC(=O)CCCBr
Isomeric SMILES	COC(=O)CCCBr
Molecular Weight	181.03
Beilstein	2(4)835
Reaxy-Rn	1745618
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745618&ln=

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

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 Number	Certificate Type	Date	Item
F2512564	Certificate of Analysis	Jun 24, 2025	M492178
B2318161	Certificate of Analysis	Feb 24, 2023	M492178
B23171118	Certificate of Analysis	Feb 24, 2023	M492178
B23171104	Certificate of Analysis	Feb 24, 2023	M492178
B2318165	Certificate of Analysis	Feb 24, 2023	M492178
B2318200	Certificate of Analysis	Feb 24, 2023	M492178
B2318162	Certificate of Analysis	Feb 24, 2023	M492178
B23171105	Certificate of Analysis	Feb 24, 2023	M492178
B2318050	Certificate of Analysis	Feb 24, 2023	M492178
B2318065	Certificate of Analysis	Feb 24, 2023	M492178

Chemical and Physical Properties

Refractive Index	1.4590 to 1.4630
Flash Point(°C)	87 °C
Boil Point(°C)	186-187℃
Molecular Weight	181.030 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	179.979 Da
Monoisotopic Mass	179.979 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.800
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. Xiayu Liang, Qingle Zeng. (2023) Recovery of samarium(III) and cobalt(II) in synthetic nitric acid solutions using carboxyl functionalized ionic liquids and application to recycling SmCo permanent magnets. HYDROMETALLURGY, 216 (106016).
2. Dawei Shang, Xiangping Zhang, Shaojuan Zeng, Kun Jiang, Hongshuai Gao, Haifeng Dong, Qingyuan Yang, Suojiang Zhang. (2017) Protic ionic liquid [Bim][NTf2] with strong hydrogen bond donating ability for highly efficient ammonia absorption. GREEN CHEMISTRY, 19 (4): (937-945).
3. Xiaoling Cao, Yonghao Deng, Zhongye Xu, Tingting Wang, Bing Tang, Jiande Han, Rui Guo, Rong Yin. (2024) A versatile natural gelatin-based hydrogel for emergency wound treatment through hemostasis, antibacterial, and anti-inflammation. Biofabrication, 17 (1): (015017).
4. Xiayu Liang, Aylin M. Deliormanlı, Qingle Zeng. (2024) Poly(ionic liquids-acrylic acid)-modified MIL-101(Cr) metal−organic frameworks: Preparation and efficient adsorption of europium☆. JOURNAL OF RARE EARTHS,

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SKU	Size	Availability	Price
M492178-10g	10g	5	$18.90
M492178-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$55.90
M492178-100g	100g	1	$103.90
M492178-250g	250g	1	$206.90
M492178-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$344.90

Methyl 4-Bromobutyrate - 96%, high purity , CAS No.4897-84-1