≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768594 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768594 |
| Sonrisas canónicas | COC(=O)C1=CC(=C(C=C1)I)Br |
| IUPAC Name | methyl 3-bromo-4-iodobenzoate |
| InChIKey | OIMBMPVAESWCEA-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3 |
| Isómeros SMILES | COC(=O)C1=CC(=C(C=C1)I)Br |
| WGK Alemania | 3 |
| Peso molecular | 340.94 |
| Reaxy-Rn | 8479644 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8479644&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Iodobenzene - Halobenzene - Aryl bromide - Aryl halide - Aryl iodide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organoiodide - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 K1905154 | Certificate of Analysis | Jun 08, 2023 | M138554 |
| Sensibilidad | light sensitive |
|---|---|
| Punto de inflamación (°F) | >230 °F |
| Punto de inflamación (°C) | >110 °C |
| Punto de fusión (°C) | 56-60°C |
| Peso molecular | 340.940 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 339.86 Da |
| Monoisotopic Mass | 339.86 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
