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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,2'-Dithiobis(6-fluorobenzoic Acid) - ≥98% , CAS No.147027-64-3
Synonyms
T70301 | AS-66199 | 2-[(2-CARBOXY-3-FLUOROPHENYL)DISULFANYL]-6-FLUOROBENZOIC ACID | D3198 | SCHEMBL9710258 | MFCD08276346 | A884471 | 2,2/'-Dithiobis(6-fluorobenzoic Acid) | AKOS027320206 | 2,2'-Dithiobis(6-fluorobenzoic Acid) | Benzoic acid, 2,2'-dithiob
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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
T70301 | AS-66199 | 2-[(2-CARBOXY-3-FLUOROPHENYL)DISULFANYL]-6-FLUOROBENZOIC ACID | D3198 | SCHEMBL9710258 | MFCD08276346 | A884471 | 2, 2/'-Dithiobis(6-fluorobenzoic Acid) | AKOS027320206 | 2, 2'-Dithiobis(6-fluorobenzoic Acid) | Benzoic acid, 2, 2'-dithiob
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F IUPAC Name 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid InChIKey QEONSZINEMHFPH-UHFFFAOYSA-N INCHI 1S/C14H8F2O4S2/c15-7-3-1-5-9(11(7)13(17)18)21-22-10-6-2-4-8(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20) Isomeric SMILES C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F Molecular Weight 342.33 Reaxy-Rn 7143222 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7143222&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 Benzoic acids and derivatives Intermediate Tree Nodes Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives Direct Parent O-sulfanylbenzoic acids Alternative Parents Halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Vinylogous halides Organic disulfides Sulfenyl compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - O-sulfanylbenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Organic disulfide - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively. 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 Solubility Soluble in Methanol Melt Point(°C) 265°C(lit.) Molecular Weight 342.300 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 5 Exact Mass 341.983 Da Monoisotopic Mass 341.983 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 386.000 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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