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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-Bromo-3-methylbenzoate - ≥97%(GC) , CAS No.148547-19-7
Synonyms
4-Bromo-3-methylbenzoic Acid Methyl Ester | 4-Bromo-3-methyl-benzoic acid methyl ester | BCP24564 | Methyl 4-Bromo-m-toluate | 4-bromo-3-methyl benzoic acid methyl ester | BENZOIC ACID, 4-BROMO-3-METHYL-, METHYL ESTER | GTZTYNPAPQKIIR-UHFFFAOYSA-N | FT-06
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Why this grade ≥97%(GC) 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 Sinónimos
4-Bromo-3-methylbenzoic Acid Methyl Ester | 4-Bromo-3-methyl-benzoic acid methyl ester | BCP24564 | Methyl 4-Bromo-m-toluate | 4-bromo-3-methyl benzoic acid methyl ester | BENZOIC ACID, 4-BROMO-3-METHYL-, METHYL ESTER | GTZTYNPAPQKIIR-UHFFFAOYSA-N | FT-06
Especificaciones y pureza
≥97%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488194350 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194350 Sonrisas canónicas CC1=C(C=CC(=C1)C(=O)OC)Br IUPAC Name methyl 4-bromo-3-methylbenzoate InChIKey GTZTYNPAPQKIIR-UHFFFAOYSA-N INCHI 1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3 Isómeros SMILES CC1=C(C=CC(=C1)C(=O)OC)Br WGK Alemania 3 Peso molecular 229.07 Reaxy-Rn 6593534 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6593534&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents 4-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Methanol Punto de fusión (°C) 38-44°C Peso molecular 229.070 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 227.979 Da Monoisotopic Mass 227.979 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 170.000 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
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