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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid - ≥97% , CAS No.34576-92-6
Synonyms
HSRSWUJIPYUCSE-UHFFFAOYSA-N | Q27454056 | TimTec1_007102 | Z56794113 | Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro- | 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid, 97% | BBL013607 | C9H4ClFO2S | J-019657 | AS-46993 | CBDivE_008274 | STK
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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
HSRSWUJIPYUCSE-UHFFFAOYSA-N | Q27454056 | TimTec1_007102 | Z56794113 | Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro- | 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid, 97% | BBL013607 | C9H4ClFO2S | J-019657 | AS-46993 | CBDivE_008274 | STK
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191423 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191423 Sonrisas canónicas C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O IUPAC Name 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid InChIKey HSRSWUJIPYUCSE-UHFFFAOYSA-N INCHI 1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13) Isómeros SMILES C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O WGK Alemania 3 Peso molecular 230.64 Reaxy-Rn 1375746 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1375746&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 Benzenoids Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organofluoride - 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 293-297 °C Peso molecular 230.640 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 229.96 Da Monoisotopic Mass 229.96 Da Topological Polar Surface Area 65.500 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 251.000 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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