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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-(cyanoacetyl)benzoate - ≥98% , CAS No.69316-08-1
Synonyms
BP-12960 | FT-0628582 | Methyl 4-cyanoacettylbenzoate | AM1145 | Methyl 4-(cyanoacetyl)benzoate | SY110302 | methyl 4-cyanoacetylbenzoate | methyl-4-(cyanoacetyl)benzoate | MFCD00015378 | Methyl 4-(cyanoacetyl)benzoate, 98% | AKOS015890036 | methyl 4-(2-c
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Desiccated Ships Ice chest + Ice pads 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
BP-12960 | FT-0628582 | Methyl 4-cyanoacettylbenzoate | AM1145 | Methyl 4-(cyanoacetyl)benzoate | SY110302 | methyl 4-cyanoacetylbenzoate | methyl-4-(cyanoacetyl)benzoate | MFCD00015378 | Methyl 4-(cyanoacetyl)benzoate, 98% | AKOS015890036 | methyl 4-(2-c
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at -20°C, Desiccated
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC=C(C=C1)C(=O)CC#N IUPAC Name methyl 4-(2-cyanoacetyl)benzoate InChIKey CTZGTFNYYYZXTE-UHFFFAOYSA-N INCHI 1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3 Isómeros SMILES COC(=O)C1=CC=C(C=C1)C(=O)CC#N WGK Alemania 3 Peso molecular 203.19 Reaxy-Rn 2375734 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2375734&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 Benzoic acid esters Benzoyl derivatives Aryl alkyl ketones Methyl esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 Punto de fusión (°C) 171-173°C Peso molecular 203.190 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 203.058 Da Monoisotopic Mass 203.058 Da Topological Polar Surface Area 67.200 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 294.000 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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