Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
| Sonrisas canónicas | COC(=O)C1=CC(=C(C=C1)C(=O)OC)CBr |
|---|---|
| IUPAC Name | dimethyl 2-(bromomethyl)benzene-1,4-dicarboxylate |
| InChIKey | UTIKNGRWJJKNBJ-UHFFFAOYSA-N |
| INCHI | 1S/C11H11BrO4/c1-15-10(13)7-3-4-9(11(14)16-2)8(5-7)6-12/h3-5H,6H2,1-2H3 |
| Isómeros SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)CBr |
| Peso molecular | 287.11 |
| Reaxy-Rn | 10433153 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10433153&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | p-Phthalate esters |
| Alternative Parents | P-phthalic acid and derivatives Benzoic acid esters Benzyl bromides Benzoyl derivatives Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Benzyl bromide - Benzyl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Peso molecular | 287.110 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 285.984 Da |
| Monoisotopic Mass | 285.984 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 267.000 |
| 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 |