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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-Bromocrotonate - ≥80%(GC) , CAS No.1117-71-1
Synonyms
W-4744 | SCHEMBL25769 | EINECS 214-251-0 | Methyl trans-4-bromocrotonate | methyl4-bromobut-2-enoate | methyl-4-bromocrotonate | methyl4-bromocrotonate | BBL011112 | MFCD00000246 | A802410 | BP-20396 | trans-4-Bromo-2-butenoic Acid Methyl Ester | InChI=1/
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥80%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
W-4744 | SCHEMBL25769 | EINECS 214-251-0 | Methyl trans-4-bromocrotonate | methyl4-bromobut-2-enoate | methyl-4-bromocrotonate | methyl4-bromocrotonate | BBL011112 | MFCD00000246 | A802410 | BP-20396 | trans-4-Bromo-2-butenoic Acid Methyl Ester | InChI=1/
Specifications & Purity
≥80%(GC)
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C=CCBr IUPAC Name methyl (E)-4-bromobut-2-enoate InChIKey RWIKCBHOVNDESJ-NSCUHMNNSA-N INCHI 1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+ Isomeric SMILES COC(=O)/C=C/CBr WGK Germany 3 RTECS GQ3120000 Molecular Weight 179.01 Reaxy-Rn 1745755 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745755&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 Lipids and lipid-like molecules Class Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid esters Alternative Parents Methyl esters Enoate esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture ＆heat sensitive Refractive Index 1.5 Flash Point(°F) 197.6 °F Flash Point(°C) 92°C(lit.) Boil Point(°C) 75 °C/2 mmHg Molecular Weight 179.010 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 177.963 Da Monoisotopic Mass 177.963 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 98.600 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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