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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-(4-Biphenylyl)-5-ethylbarbituric acid , CAS No.94209-48-0
Synonyms
NIOSH/CQ0532020 | 5-(4-Biphenylyl)-5-ethylbarbituric acid | Acido 5-etil 5-(p-difenilil)barbiturici | M.G. 3419 | CQ05320200 | Barbituric acid, 5-(4-biphenylyl)-5-ethyl- | Acido 5-etil 5-(p-difenilil)barbiturici [Italian] | 5-Biphenyl-4-yl-5-ethyl-pyrimid
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
NIOSH/CQ0532020 | 5-(4-Biphenylyl)-5-ethylbarbituric acid | Acido 5-etil 5-(p-difenilil)barbiturici | M.G. 3419 | CQ05320200 | Barbituric acid, 5-(4-biphenylyl)-5-ethyl- | Acido 5-etil 5-(p-difenilil)barbiturici [Italian] | 5-Biphenyl-4-yl-5-ethyl-pyrimid
Product Properties Names and Identifiers Canonical Smiles CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3 IUPAC Name 5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione InChIKey XWZIZWWEAJZAMO-UHFFFAOYSA-N INCHI 1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23) Isomeric SMILES CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3 Molecular Weight 308.3 Reaxy-Rn 624463 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=624463&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 Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenyls and derivatives Alternative Parents Barbituric acid derivatives N-acyl ureas Diazinanes Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Biphenyl - Barbiturate - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 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 Molecular Weight 308.300 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 308.116 Da Monoisotopic Mass 308.116 Da Topological Polar Surface Area 75.300 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 468.000 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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