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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 6-bromobenzo[b]thiophene-2-carboxylate - ≥98% , CAS No.360576-01-8
Synonyms
CS1251 | SFDVDNLBYGHFNF-UHFFFAOYSA-N | DTXSID50625904 | 6-bromobenzothiophene-2-carboxylic acid methyl ester | 6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, AldrichCPR | SY104145 | AMY5738 | methyl6-bromobenzo[b]thiophene-2-carboxylate | FT-06
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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.
Overview Methyl 6-bromobenzo[b]thiophene-2-carboxylate is used in the synthesis of benzothiophene derivatives as histone deacetylase inhibitors.
Specifications Synonyms
CS1251 | SFDVDNLBYGHFNF-UHFFFAOYSA-N | DTXSID50625904 | 6-bromobenzothiophene-2-carboxylic acid methyl ester | 6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, AldrichCPR | SY104145 | AMY5738 | methyl6-bromobenzo[b]thiophene-2-carboxylate | FT-06
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488200154 Canonical Smiles COC(=O)C1=CC2=C(S1)C=C(C=C2)Br IUPAC Name methyl 6-bromo-1-benzothiophene-2-carboxylate InChIKey SFDVDNLBYGHFNF-UHFFFAOYSA-N INCHI 1S/C10H7BrO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3 Isomeric SMILES COC(=O)C1=CC2=C(S1)C=C(C=C2)Br Molecular Weight 271.14 Reaxy-Rn 11218753 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11218753&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 Organoheterocyclic compounds Class Benzothiophenes Subclass 1-benzothiophenes Intermediate Tree Nodes Not available Direct Parent 1-benzothiophenes Alternative Parents Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Aryl bromides Methyl esters Heteroaromatic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. 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 Melt Point(°C) 117-119° Molecular Weight 271.130 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 269.935 Da Monoisotopic Mass 269.935 Da Topological Polar Surface Area 54.500 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 234.000 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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