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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Bromo-4′-cyanoacetophenone - ≥96%(GC) , CAS No.20099-89-2
Synonyms
4-bromoacetyl benzonitrile | J-013010 | NSC157569 | NSC-157569 | p-Bromoacetylbenzonitrile | SCHEMBL250688 | 2-Bromo-4'-cyanoacetophenone | 2-bromo-4'-cyano-acetophenone | KUN50259 | E6T2NP32GC | 3-amino-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
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Why this grade ≥96%(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.
Descripción general 2-Bromo-4′-cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
2-Bromo-4′-cyanoacetophenone may be used to synthesize:
• 3-acylindolizines
• (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
• 1-[2-(4-cyanophenyl)-2-oxoethyl]-1,10-phenanthrolinium bromide.
Specifications Sinónimos
4-bromoacetyl benzonitrile | J-013010 | NSC157569 | NSC-157569 | p-Bromoacetylbenzonitrile | SCHEMBL250688 | 2-Bromo-4'-cyanoacetophenone | 2-bromo-4'-cyano-acetophenone | KUN50259 | E6T2NP32GC | 3-amino-piperidine-1, 3-dicarboxylic acid 1-tert-butyl ester
Especificaciones y pureza
≥96%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504756411 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756411 Sonrisas canónicas C1=CC(=CC=C1C#N)C(=O)CBr IUPAC Name 4-(2-bromoacetyl)benzonitrile InChIKey LJANCPRIUMHGJE-UHFFFAOYSA-N INCHI 1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2 Isómeros SMILES C1=CC(=CC=C1C#N)C(=O)CBr WGK Alemania 3 Peso molecular 224.05 Beilstein 2087648 Reaxy-Rn 2087648 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087648&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 Benzonitriles Aryl alkyl ketones Alpha-haloketones Nitriles Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzonitrile - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Carbonitrile - Nitrile - Alkyl bromide - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Methanol Punto de fusión (°C) 91-96°C Peso molecular 224.050 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 222.963 Da Monoisotopic Mass 222.963 Da Topological Polar Surface Area 40.900 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 210.000 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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