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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Ethyl Phenylcyanoacetate - ≥95%(GC) , CAS No.4553-07-5
Disponível para encomenda
Synonyms
Benzeneacetic acid, .alpha.-cyano-, ethyl ester | Ethyl alpha-cyanophenylacetate | SCHEMBL502194 | AI3-05831 | Phenylcyanoacetic acid ethyl ester | Benzeneacetic acid, alpha-cyano-, ethyl ester | ethyl-2-phenylcyanoacetate | SCHEMBL138245 | (R)-2-((tert-b
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Why this grade ≥95%(GC) 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
Benzeneacetic acid, .alpha.-cyano-, ethyl ester | Ethyl alpha-cyanophenylacetate | SCHEMBL502194 | AI3-05831 | Phenylcyanoacetic acid ethyl ester | Benzeneacetic acid, alpha-cyano-, ethyl ester | ethyl-2-phenylcyanoacetate | SCHEMBL138245 | (R)-2-((tert-b
Especificações e pureza
≥95%(GC)
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Sorrisos canónicos CCOC(=O)C(C#N)C1=CC=CC=C1 IUPAC Name ethyl 2-cyano-2-phenylacetate InChIKey SXIRJEDGTAKGKU-UHFFFAOYSA-N INCHI 1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3 SMILES isoméricas CCOC(=O)C(C#N)C1=CC=CC=C1 Peso molecular 189.21 Beilstein 9854 Reaxy-Rn 611232 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=611232&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 Classe Benzene and substituted derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. External Descriptors ethyl ester - alpha-substituted cyanoacetate ester 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Sensibilidade Hygroscopic Índice de refração 1.51 Ponto de ebulição (°C) 275°C(lit.) Peso molecular 189.210 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 189.079 Da Monoisotopic Mass 189.079 Da Topological Polar Surface Area 50.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 235.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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