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· · COA & SDS available for every product · Same-day shipping on in-stock items 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid - ≥95% , CAS No.550998-66-8
Synonyms
AXA99866 | DTXSID30591890 | J-519052 | EN300-11177886 | SCHEMBL2892808 | 7-(trifluoromethyl)-1-benzo[b]thiophene-2-carboxylic acid | 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylicacid | E84178 | 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid |
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Why this grade ≥95% 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
AXA99866 | DTXSID30591890 | J-519052 | EN300-11177886 | SCHEMBL2892808 | 7-(trifluoromethyl)-1-benzo[b]thiophene-2-carboxylic acid | 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylicacid | E84178 | 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid |
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles C1=CC2=C(C(=C1)C(F)(F)F)SC(=C2)C(=O)O IUPAC Name 7-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid InChIKey ZAKLURALPFCOEH-UHFFFAOYSA-N INCHI 1S/C10H5F3O2S/c11-10(12,13)6-3-1-2-5-4-7(9(14)15)16-8(5)6/h1-4H,(H,14,15) Isomeric SMILES C1=CC2=C(C(=C1)C(F)(F)F)SC(=C2)C(=O)O PubChem CID 17979623 Molecular Weight 246.21
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 2,3,5-trisubstituted thiophenes Benzenoids Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzothiophene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - 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) 191-195° Molecular Weight 246.210 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 245.996 Da Monoisotopic Mass 245.996 Da Topological Polar Surface Area 65.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 292.000 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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