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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2'-Hydroxy-5'-methyl-3'-nitroacetophenone - ≥98% , CAS No.66108-30-3
Synonyms
Ethanone,1-(2-hydroxy-5-methyl-3-nitrophenyl)- | SCHEMBL4132017 | XSHQMMIEZHWNAK-UHFFFAOYSA-N | AKOS015912489 | AKOS006220491 | 2-ACETYL-4-METHYL-6-NITROPHENOL | DTXSID90352944 | InChI=1/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H | 1-(5-met
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Why this grade ≥98% 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
Ethanone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)- | SCHEMBL4132017 | XSHQMMIEZHWNAK-UHFFFAOYSA-N | AKOS015912489 | AKOS006220491 | 2-ACETYL-4-METHYL-6-NITROPHENOL | DTXSID90352944 | InChI=1/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4, 12H, 1-2H | 1-(5-met
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191331 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191331 Sonrisas canónicas CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C IUPAC Name 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone InChIKey XSHQMMIEZHWNAK-UHFFFAOYSA-N INCHI 1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3 Isómeros SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C WGK Alemania 3 Peso molecular 195.17 Reaxy-Rn 2527302 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2527302&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 Nitrophenols Nitrotoluenes Nitrobenzenes Acetophenones Para cresols Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Nitrophenol - Acetophenone - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - P-cresol - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen 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 Punto de fusión (°C) 133-136 °C Peso molecular 195.170 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 195.053 Da Monoisotopic Mass 195.053 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 248.000 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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