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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-BENZOYLMALONONITRILE , CAS No.46177-21-3
Synonyms
2-Benzoylmalononitrile|46177-21-3|2-benzoylpropanedinitrile|benzoylmalononitrile|Propanedinitrile, benzoyl-|NSC162041|SCHEMBL408412|DTXSID20303787|TYILDUOIQJLXMU-UHFFFAOYSA-N|AMY19338|Malononitrile,benzoyl- (6CI,7CI)|MFCD00050442|AKOS016008102|NSC-162041|
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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 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
2-Benzoylmalononitrile | 46177-21-3 | 2-benzoylpropanedinitrile | benzoylmalononitrile | Propanedinitrile, benzoyl- | NSC162041 | SCHEMBL408412 | DTXSID20303787 | TYILDUOIQJLXMU-UHFFFAOYSA-N | AMY19338 | Malononitrile, benzoyl- (6CI, 7CI) | MFCD00050442 | AKOS016008102 | NSC-162041 |
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC=C(C=C1)C(=O)C(C#N)C#N IUPAC Name 2-benzoylpropanedinitrile InChIKey TYILDUOIQJLXMU-UHFFFAOYSA-N INCHI 1S/C10H6N2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9H Isómeros SMILES C1=CC=C(C=C1)C(=O)C(C#N)C#N Peso molecular 170.172 Reaxy-Rn 2092796 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092796&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 Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoyl derivatives Aryl alkyl ketones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 170.170 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 170.048 Da Monoisotopic Mass 170.048 Da Topological Polar Surface Area 64.700 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 269.000 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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