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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl benzo[b]thiophene-2-carboxylate - ≥97% , CAS No.22913-24-2
Synonyms
SY006828 | DS-4162 | AKOS000280413 | MFCD00067791 | Benzo[b]thiophene-2-carboxylic acid, methyl ester | Methyl benzo[b]thiophene-2-carboxylate, 97% | Methyl benzo[b]thiophene-2-carboxylate | FT-0628702 | STK736357 | EN300-193090 | DTXSID50384160 | Maybrid
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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 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
SY006828 | DS-4162 | AKOS000280413 | MFCD00067791 | Benzo[b]thiophene-2-carboxylic acid, methyl ester | Methyl benzo[b]thiophene-2-carboxylate, 97% | Methyl benzo[b]thiophene-2-carboxylate | FT-0628702 | STK736357 | EN300-193090 | DTXSID50384160 | Maybrid
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488194043 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194043 Sonrisas canónicas COC(=O)C1=CC2=CC=CC=C2S1 IUPAC Name methyl 1-benzothiophene-2-carboxylate InChIKey KRRAZMUPVIGDCU-UHFFFAOYSA-N INCHI 1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3 Isómeros SMILES COC(=O)C1=CC2=CC=CC=C2S1 WGK Alemania 3 Peso molecular 192.23 Reaxy-Rn 142166 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142166&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 Clase 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 Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Descripción 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 70-74°C Peso molecular 192.240 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 192.025 Da Monoisotopic Mass 192.025 Da Topological Polar Surface Area 54.500 Ų Heavy Atom Count 13 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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