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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Nitrophenylacetone - ≥97% , CAS No.5332-96-7
Synonyms
SCHEMBL43494 | SY226853 | 2-Propanone, 1-(4-nitrophenyl)- | DTXSID60277054 | p-nitrophenylacetone | 4-Nitrophenylacetone | Gamma-butyrolactone(GBL) | NSC581 | NSC-581 | p-Nitrophenylazeton | AKOS000216019 | EN300-305301 | FT-0619272 | A829515 | 1-(4-Nitro
Storage
Room temperature,Argon charged
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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,Argon charged 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
SCHEMBL43494 | SY226853 | 2-Propanone, 1-(4-nitrophenyl)- | DTXSID60277054 | p-nitrophenylacetone | 4-Nitrophenylacetone | Gamma-butyrolactone(GBL) | NSC581 | NSC-581 | p-Nitrophenylazeton | AKOS000216019 | EN300-305301 | FT-0619272 | A829515 | 1-(4-Nitro
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature, Argon charged
Nombres e identificadores Sonrisas canónicas CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] IUPAC Name 1-(4-nitrophenyl)propan-2-one InChIKey GEWWCWZGHNIUBW-UHFFFAOYSA-N INCHI 1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3 Isómeros SMILES CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] Peso molecular 179.17 Reaxy-Rn 1953054 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953054&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 Clase Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Phenylpropanes Nitroaromatic compounds Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Phenylpropane - Nitroaromatic compound - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 Sensibilidad Air sensitive Punto de fusión (°C) 60.0~66.0 °C Peso molecular 179.170 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 179.058 Da Monoisotopic Mass 179.058 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 201.000 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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