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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 2-(4-bromophenyl)-2,2-dimethylacetate - ≥98% , CAS No.154825-97-5
Synonyms
2-(4-bromophenyl)-2-methylpropanoic acid methyl ester | SCHEMBL6628 | SY030557 | DTXSID80394676 | MFCD02683357 | methyl 2-(4-bromo-phenyl)-2-methyl-propanoate | methyl 2-(4-bromophenyl)-2-methylpropanoate | Methyl 2-(4-bromophenyl)-2-methyl-propanoate | (
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Why this grade ≥98% 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 Synonyms
2-(4-bromophenyl)-2-methylpropanoic acid methyl ester | SCHEMBL6628 | SY030557 | DTXSID80394676 | MFCD02683357 | methyl 2-(4-bromo-phenyl)-2-methyl-propanoate | methyl 2-(4-bromophenyl)-2-methylpropanoate | Methyl 2-(4-bromophenyl)-2-methyl-propanoate | (
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC(C)(C1=CC=C(C=C1)Br)C(=O)OC IUPAC Name methyl 2-(4-bromophenyl)-2-methylpropanoate InChIKey JTYDXPPFLQSEAQ-UHFFFAOYSA-N INCHI 1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3 Isomeric SMILES CC(C)(C1=CC=C(C=C1)Br)C(=O)OC Molecular Weight 257.12 Reaxy-Rn 6802390 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6802390&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 Phenylpropanes Intermediate Tree Nodes Not available Direct Parent Phenylpropanes Alternative Parents Bromobenzenes Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 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 257.120 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 256.01 Da Monoisotopic Mass 256.01 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 205.000 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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