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· · COA & SDS Disponible para cada producto · 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 Sinónimos
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/
Especificaciones y pureza
≥80%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas 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+ Isómeros SMILES COC(=O)/C=C/CBr WGK Alemania 3 RTECS GQ3120000 Peso molecular 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 Clase 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 Descripción 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.
Estructura 3D Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture ＆heat sensitive Índice de refracción 1.5 Punto de inflamación (°F) 197.6 °F Punto de inflamación (°C) 92°C(lit.) Punto de ebullición (°C) 75 °C/2 mmHg Peso molecular 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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