≥99% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)C1=CC=CC=C1Br |
|---|---|
| IUPAC Name | methyl 2-bromobenzoate |
| InChIKey | SWGQITQOBPXVRC-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=CC=C1Br |
| WGK Germany | 3 |
| Molecular Weight | 215.04 |
| Beilstein | 9(3)1385 |
| Reaxy-Rn | 1862501 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862501&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 | 2-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - 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 |
|---|---|---|---|
 A2128154 | Certificate of Analysis | May 20, 2026 | M113789 |
| L2109272 | Certificate of Analysis | Sep 21, 2023 | M113789 |
| L2109282 | Certificate of Analysis | Sep 21, 2023 | M113789 |
| L2109306 | Certificate of Analysis | Sep 21, 2023 | M113789 |
| L2109307 | Certificate of Analysis | Sep 21, 2023 | M113789 |
| L2109308 | Certificate of Analysis | Sep 21, 2023 | M113789 |
| J1730188 | Certificate of Analysis | Apr 11, 2023 | M113789 |
| E2121034 | Certificate of Analysis | Feb 13, 2023 | M113789 |
| A2128153 | Certificate of Analysis | Nov 14, 2022 | M113789 |
| K2019127 | Certificate of Analysis | Sep 16, 2022 | M113789 |
| K2019125 | Certificate of Analysis | Sep 16, 2022 | M113789 |
| Solubility | Insoluble in water. |
|---|---|
| Refractive Index | 1.559 |
| Flash Point(°F) | 230°F |
| Flash Point(°C) | >110 °C |
| Boil Point(°C) | 252-254°C |
| Molecular Weight | 215.040 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.963 Da |
| Monoisotopic Mass | 213.963 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
