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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-(2-bromoethyl)benzoate - ≥97% , CAS No.136333-97-6
Synonyms
DS-3862 | Benzoic acid, 4-(2-bromoethyl)-, methyl ester | BB 0259422 | A886816 | methyl4-(2-bromoethyl)benzoate | SY004835 | A6288 | 4-methoxycarbonylphenethyl bromide | methyl 4-(bromethyl)benzoate | methyl 4-(bromoethyl)benzoate | 2-(4-carbomethoxypheny
Storage
Room temperature,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 Room temperature,Argon charged 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
DS-3862 | Benzoic acid, 4-(2-bromoethyl)-, methyl ester | BB 0259422 | A886816 | methyl4-(2-bromoethyl)benzoate | SY004835 | A6288 | 4-methoxycarbonylphenethyl bromide | methyl 4-(bromethyl)benzoate | methyl 4-(bromoethyl)benzoate | 2-(4-carbomethoxypheny
Specifications & Purity
≥97%
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles COC(=O)C1=CC=C(C=C1)CCBr IUPAC Name methyl 4-(2-bromoethyl)benzoate InChIKey HNNUQHJWFIPTLJ-UHFFFAOYSA-N INCHI 1S/C10H11BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6-7H2,1H3 Isomeric SMILES COC(=O)C1=CC=C(C=C1)CCBr Molecular Weight 243.10 Reaxy-Rn 2256211 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2256211&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 Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 243.100 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 241.994 Da Monoisotopic Mass 241.994 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 162.000 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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