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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-bromobutanoate - ≥97% , CAS No.21249-59-2
Synonyms
MFCD00039174 | Butyric acid, 3-bromo-, methyl ester | 2-Bromo methyl butyrate | Methyl 3-bromobutanoate | AS-50313 | Methyl3-bromobutanoate | Methyl 3-bromobutyrate | methyl 3-bromo-butyrate | 3-Bromobutyric acid methyl ester | EINECS 244-294-0 | Butanoic
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% 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
MFCD00039174 | Butyric acid, 3-bromo-, methyl ester | 2-Bromo methyl butyrate | Methyl 3-bromobutanoate | AS-50313 | Methyl3-bromobutanoate | Methyl 3-bromobutyrate | methyl 3-bromo-butyrate | 3-Bromobutyric acid methyl ester | EINECS 244-294-0 | Butanoic
Especificaciones y pureza
≥97%
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 CC(CC(=O)OC)Br IUPAC Name methyl 3-bromobutanoate InChIKey WJYBMWHJTZBYSO-UHFFFAOYSA-N INCHI 1S/C5H9BrO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3 Isómeros SMILES CC(CC(=O)OC)Br Peso molecular 181.03 Reaxy-Rn 1720857 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720857&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 methyl esters Alternative Parents Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 181.030 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 179.979 Da Monoisotopic Mass 179.979 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 82.500 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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