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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 5-Benzylidenebarbituric Acid - ≥97% , CAS No.27402-47-7
Synonyms
5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione | (5Z)-5-benzylidene-2,6-dihydroxypyrimidin-4(5H)-one | BIM-0032393.P001 | NSC179809 | NSC-179809 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(phenylmethylene)- | 5-BENZYLIDENE-PYRIMIDINE-2,4,6-TRIONE | benzylidene
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Why this grade ≥97% 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 Sinónimos
5-benzylidenepyrimidine-2, 4, 6(1H, 3H, 5H)-trione | (5Z)-5-benzylidene-2, 6-dihydroxypyrimidin-4(5H)-one | BIM-0032393.P001 | NSC179809 | NSC-179809 | 2, 4, 6(1H, 3H, 5H)-Pyrimidinetrione, 5-(phenylmethylene)- | 5-BENZYLIDENE-PYRIMIDINE-2, 4, 6-TRIONE | benzylidene
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488188922 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188922 Sonrisas canónicas C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O IUPAC Name 5-benzylidene-1,3-diazinane-2,4,6-trione InChIKey CMWDWOZYVQQAMI-UHFFFAOYSA-N INCHI 1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16) Isómeros SMILES C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O Peso molecular 216.2 Reaxy-Rn 14420 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14420&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 Organoheterocyclic compounds Clase Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidones Direct Parent Barbituric acid derivatives Alternative Parents N-acyl ureas Diazinanes Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Barbiturate - Ureide - N-acyl urea - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 216.190 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 216.053 Da Monoisotopic Mass 216.053 Da Topological Polar Surface Area 75.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 345.000 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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