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· · COA & SDS available for every product · Same-day shipping on in-stock items (E)-Methyl 4-(4-bromophenyl)-2-oxobut-3-enoate - ≥97% , CAS No.608128-34-3
Synonyms
MFCD18642374 | AMY36435 | AKOS015996958 | (E)-methyl-4-(4-bromophenyl)-2-oxobut-3-enoate | (E)-Methyl4-(4-bromophenyl)-2-oxobut-3-enoate | SCHEMBL17157604 | SS-4537 | methyl (E)-4-(4-bromophenyl)-2-oxobut-3-enoate | (E)-Methyl 4-(4-bromophenyl)-2-oxobut-3
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
MFCD18642374 | AMY36435 | AKOS015996958 | (E)-methyl-4-(4-bromophenyl)-2-oxobut-3-enoate | (E)-Methyl4-(4-bromophenyl)-2-oxobut-3-enoate | SCHEMBL17157604 | SS-4537 | methyl (E)-4-(4-bromophenyl)-2-oxobut-3-enoate | (E)-Methyl 4-(4-bromophenyl)-2-oxobut-3
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488200362 Canonical Smiles COC(=O)C(=O)C=CC1=CC=C(C=C1)Br IUPAC Name methyl (E)-4-(4-bromophenyl)-2-oxobut-3-enoate InChIKey OEKODHJXUIKZME-QPJJXVBHSA-N INCHI 1S/C11H9BrO3/c1-15-11(14)10(13)7-4-8-2-5-9(12)6-3-8/h2-7H,1H3/b7-4+ Isomeric SMILES COC(=O)C(=O)/C=C/C1=CC=C(C=C1)Br Molecular Weight 269.09 Reaxy-Rn 18853487 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18853487&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Cinnamic acids and derivatives Alternative Parents Styrenes Fatty acid esters Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Methyl esters Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid or derivatives - Styrene - Bromobenzene - Fatty acid ester - Halobenzene - Alpha-keto acid - Aryl bromide - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 269.090 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 267.974 Da Monoisotopic Mass 267.974 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 265.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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