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· · COA & SDS available for every product · Same-day shipping on in-stock items Barium Chloranilate Trihydrate - ≥97%(T) , CAS No.13435-46-6
Synonyms
DTXSID3065455 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1) | barium(2+);2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate | 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-,barium salt(1:1) | Barium chloranila
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Why this grade ≥97%(T) 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
DTXSID3065455 | 2, 5-Cyclohexadiene-1, 4-dione, 2, 5-dichloro-3, 6-dihydroxy-, barium salt (1:1) | barium(2+);2, 5-dichloro-3, 6-dioxocyclohexa-1, 4-diene-1, 4-diolate | 2, 5-Cyclohexadiene-1, 4-dione, 2, 5-dichloro-3, 6-dihydroxy-, barium salt(1:1) | Barium chloranila
Specifications & Purity
≥97%(T)
Names and Identifiers Canonical Smiles C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Ba+2] IUPAC Name barium(2+);2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate InChIKey IPBSAQBBXCGJQG-UHFFFAOYSA-L INCHI 1S/C6H2Cl2O4.Ba/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2/p-2 Isomeric SMILES C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Ba+2] Molecular Weight 344.29 Reaxy-Rn 3772672 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3772672&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Cyclic ketones - Quinones - Benzoquinones Direct Parent P-benzoquinones Alternative Parents Vinylogous halides Vinylogous acids Alpha-chloroketones Vinyl chlorides Organic metal halides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents P-benzoquinone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Vinylogous acid - Organic metal halide - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Organochloride - Organic salt - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, 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 Insoluble in water; Insoluble in Benzene,Ethanol,Ether Molecular Weight 344.290 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 343.823 Da Monoisotopic Mass 343.823 Da Topological Polar Surface Area 80.300 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 275.000 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 2
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