≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186923 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186923 |
| Canonical Smiles | CCC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromobutanoate |
| InChIKey | UFQQDNMQADCHGH-UHFFFAOYSA-N |
| INCHI | 1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3 |
| Isomeric SMILES | CCC(C(=O)OC)Br |
| WGK Germany | 3 |
| UN Number | 3265 |
| Molecular Weight | 181.03 |
| Beilstein | 2(4)906 |
| Reaxy-Rn | 1720826 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720826&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 | Methyl esters Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2420584 | Certificate of Analysis | Jun 28, 2024 | M110203 |
| L2420585 | Certificate of Analysis | Jun 28, 2024 | M110203 |
| L2420591 | Certificate of Analysis | Jun 28, 2024 | M110203 |
| K1710011 | Certificate of Analysis | Jun 07, 2023 | M110203 |
| D2319403 | Certificate of Analysis | May 04, 2023 | M110203 |
| D2319400 | Certificate of Analysis | May 02, 2023 | M110203 |
| I1525076 | Certificate of Analysis | Mar 07, 2023 | M110203 |
| Refractive Index | 1.452 |
|---|---|
| Flash Point(°F) | 154.4 °F |
| Flash Point(°C) | 68 °C |
| Boil Point(°C) | 137-138 °C/50mm |
| Molecular Weight | 181.030 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.979 Da |
| Monoisotopic Mass | 179.979 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 82.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Beibei Lu, Lei Li, Jianning Wu, Lulu Wei, Jun Hou, Zhiyong Liu, Xuhong Guo. (2016) Synthesis of a dual pH and temperature responsive star triblock copolymer based on β-cyclodextrins for controlled intracellular doxorubicin delivery release. NEW JOURNAL OF CHEMISTRY, 40 (10): (8397-8407). [PMID:] [10.1039/C6NJ01360K] |
