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· · COA & SDS available for every product · Same-day shipping on in-stock items Xylenol Blue Indicator - 0.05% , CAS No.125-31-5
GRADE & PURITY 0.05%
Synonyms
X0026 | X-6800 | NCGC00091153-01 | starbld0016709 | XYLENOL BLUE, P- | 1,4-dimethyl-5-hydroxybenzenesulfonephthalein | XYLENOL BLUE [MI] | CAS-125-31-5 | Xylenol Blue | SCHEMBL62880 | X0016 | D92792 | Tox21_303062 | NCGC00256968-01 | p-Xylenesulfonephthal
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Why this grade 0.05% 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
X0026 | X-6800 | NCGC00091153-01 | starbld0016709 | XYLENOL BLUE, P- | 1, 4-dimethyl-5-hydroxybenzenesulfonephthalein | XYLENOL BLUE [MI] | CAS-125-31-5 | Xylenol Blue | SCHEMBL62880 | X0016 | D92792 | Tox21_303062 | NCGC00256968-01 | p-Xylenesulfonephthal
Specifications & Purity
0.05%
Names and Identifiers Canonical Smiles CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C(=C4)C)O)C IUPAC Name 4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,5-dimethylphenol InChIKey MGUKYHHAGPFJMC-UHFFFAOYSA-N INCHI 1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3 Isomeric SMILES CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C(=C4)C)O)C WGK Germany 3 PubChem CID 67172 Molecular Weight 410.48 Beilstein 363132 Reaxy-Rn 363132
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 Benzofurans Subclass Benzofuranones Intermediate Tree Nodes Not available Direct Parent Benzofuranones Alternative Parents Phthalides p-Xylenols Benzoxathioles p-Xylenes Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzofuranone - Phthalide - Benzoxathiole - P-xylenol - Xylenol - P-xylene - Xylene - M-cresol - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 212°C Molecular Weight 410.500 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 410.119 Da Monoisotopic Mass 410.119 Da Topological Polar Surface Area 92.200 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 671.000 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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