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· · COA & SDS available for every product · Same-day shipping on in-stock items Pentafluorophenyl 4-Nitrobenzenesulfonate - ≥98% , CAS No.244633-31-6
Synonyms
J-523908 | 2,3,4,5,6-Pentafluorophenyl 4-nitrobenzenesulfonate | DTXSID40382438 | C12H4F5NO5S | T72148 | 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester | SCHEMBL15022229 | 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate | AKOS005069298 | penta
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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
J-523908 | 2, 3, 4, 5, 6-Pentafluorophenyl 4-nitrobenzenesulfonate | DTXSID40382438 | C12H4F5NO5S | T72148 | 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester | SCHEMBL15022229 | 2, 3, 4, 5, 6-pentafluorophenyl 4-nitrobenzene-1-sulfonate | AKOS005069298 | penta
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504762105 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762105 Canonical Smiles C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-nitrobenzenesulfonate InChIKey DQKVZFMQPLLPMR-UHFFFAOYSA-N INCHI 1S/C12H4F5NO5S/c13-7-8(14)10(16)12(11(17)9(7)15)23-24(21,22)6-3-1-5(2-4-6)18(19)20/h1-4H Isomeric SMILES C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F PubChem CID 2783096 Molecular Weight 369.22 Reaxy-Rn 6244293
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 Benzenesulfonic acids and derivatives Intermediate Tree Nodes Not available Direct Parent p-Nitrobenzenesulfonates Alternative Parents p-Bromobenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fluorobenzenes Aryl fluorides Organosulfonic acid esters Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides Molecular Framework Aromatic homomonocyclic compounds Substituents P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position. 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 Toluene Melt Point(°C) 106-110℃ Molecular Weight 369.220 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 3 Exact Mass 368.973 Da Monoisotopic Mass 368.973 Da Topological Polar Surface Area 97.600 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 543.000 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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