≥98% 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.
| Canonical Smiles | CCOC(=O)C1=CC=C(C=C1)CBr |
|---|---|
| IUPAC Name | ethyl 4-(bromomethyl)benzoate |
| InChIKey | TWQLMAJROCNXEA-UHFFFAOYSA-N |
| INCHI | 1S/C10H11BrO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CC=C(C=C1)CBr |
| UN Number | 1759 |
| Packing Group | II |
| Molecular Weight | 243.1 |
| Reaxy-Rn | 1869569 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869569&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzyl bromides Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Benzyl bromide - Benzyl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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 |
|---|---|---|---|
 A2616043 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| I2220325 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| I2220460 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| I2220461 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| I2220462 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| L2412089 | Certificate of Analysis | Jul 03, 2022 | E330588 |
| Refractive Index | 1.5494 |
|---|---|
| Boil Point(°C) | 145° C at 5 mmHg |
| Melt Point(°C) | 28-33° C |
| Molecular Weight | 243.100 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 241.994 Da |
| Monoisotopic Mass | 241.994 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |
| 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, [PMID:37866304] [10.1016/j.talanta.2023.125288] |
