≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Product Application:
Reacts with aldehydes and ketones to form α-methylene-butyrolactones.Used in the synthesis of methotrexate analogues.
| Pubchem Sid | 504759255 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759255 |
| Canonical Smiles | C=C(CBr)C(=O)O |
| IUPAC Name | 2-(bromomethyl)prop-2-enoic acid |
| InChIKey | NOOYFQLPKUQDNE-UHFFFAOYSA-N |
| INCHI | 1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7) |
| Isomeric SMILES | C=C(CBr)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 164.99 |
| Beilstein | 2426204 |
| Reaxy-Rn | 2426204 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2426204&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monocarboxylic acid or derivatives - Carboxylic acid - 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 carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
| 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 |
|---|---|---|---|
 G2312194 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| G2312198 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| G2312202 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| G2312203 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| G2312205 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| G2312206 | Certificate of Analysis | Apr 08, 2025 | B137347 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | heat sensitive |
| Melt Point(°C) | 73 °C |
| Molecular Weight | 164.990 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.947 Da |
| Monoisotopic Mass | 163.947 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 97.900 |
| 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 |
| 1. Xinyue Zhao, Naijie Wei, Ziyang Fang, Yingyan Xie, Xiaowen Yan, Qiuquan Wang. (2026) A Targeted Covalently Activated Chemotherapy Strategy Synergistically Enhances Cytotoxicity of Ibrutinib and Selectivity of Doxorubicin to B-cell Lymphoma Cells. JOURNAL OF MEDICINAL CHEMISTRY, [PMID:41615077] [10.1021/acs.jmedchem.5c02215] |
