Basic Description

Synonyms	tert-butyl 4-bromobutanoate \| 110661-91-1 \| 110611-91-1 \| t-Butyl 4-bromobutyrate \| tert-butyl 4-bromobutyrate \| t-butyl 4-bromobutanoate \| 4-Bromo-butyric acid tert-butyl ester \| t-butyl-4-bromobutyrate \| MFCD02179416 \| 4-bromobutyric acid t-butyl ester \| tert-butyl4-bromob
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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

Pubchem Sid	488193061
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193061
IUPAC Name	tert-butyl 4-bromobutanoate
INCHI	InChI=1S/C8H15BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3
InChIKey	HJEZRYIJNHAIGY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)CCCBr
Isomeric SMILES	CC(C)(C)OC(=O)CCCBr
Alternate CAS	110611-91-1
PubChem CID	2757253
Molecular Weight	223.11

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.

9 results found

Lot Number	Certificate Type	Date	Item
D2304161	Certificate of Analysis	Jan 06, 2025	T179400
D2304160	Certificate of Analysis	Jan 06, 2025	T179400
D2304153	Certificate of Analysis	Jan 06, 2025	T179400
K2105197	Certificate of Analysis	Aug 07, 2023	T179400
K2105201	Certificate of Analysis	Aug 07, 2023	T179400
K2105204	Certificate of Analysis	Aug 07, 2023	T179400
D2304162	Certificate of Analysis	Mar 18, 2023	T179400
D2304155	Certificate of Analysis	Mar 18, 2023	T179400
D2304159	Certificate of Analysis	Mar 18, 2023	T179400

Chemical and Physical Properties

Flash Point(°C)	117 °C
Boil Point(°C)	72 °C/0.68 mmHg
Molecular Weight	223.110 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	222.026 Da
Monoisotopic Mass	222.026 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	127.000
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. Yang Li, Jing Li, Ting Yu, Hongyi Cai, Youyu Zhang, Haitao Li, Huijun Zhou, Peng Yin. (2025) Multi-signal fluorescent probe for simultaneous differentiation and imaging of Hg2+, Cys, Hcy, and GSH in living cells and zebrafish. JOURNAL OF HAZARDOUS MATERIALS, 488 (137427).

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SKU	Size	Availability	Price
T179400-5g	5g	4	$33.90
T179400-25g	25g	3	$139.90
T179400-100g	100g	1	$464.90

t-Butyl 4-bromobutanoate - 95%, high purity , CAS No.110611-91-1