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· · COA & SDS available for every product · Same-day shipping on in-stock items 2'-Hydroxy-5'-nitroacetophenone - ≥97%(HPLC) , CAS No.1450-76-6
Synonyms
3,9-di(3-cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane | NSC 64461 | STK365774 | 1-(2-Hydroxy-5-nitrophenyl)ethanone # | 1-(2-Hydroxy-5-nitrophenyl)ethanone | 1-(2-hydroxy-5-nitro-phenyl)ethanone | 1-(2-Hydroxy-5-nitro-phenyl)-ethanone | AC-511 | 2
Storage
Argon charged,Room temperature
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Why this grade ≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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 Synonyms
3, 9-di(3-cyclohexen-1-yl)-2, 4, 8, 10-tetraoxaspiro[5.5]undecane | NSC 64461 | STK365774 | 1-(2-Hydroxy-5-nitrophenyl)ethanone # | 1-(2-Hydroxy-5-nitrophenyl)ethanone | 1-(2-hydroxy-5-nitro-phenyl)ethanone | 1-(2-Hydroxy-5-nitro-phenyl)-ethanone | AC-511 | 2
Specifications & Purity
≥97%(HPLC)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504758094 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758094 Canonical Smiles CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O IUPAC Name 1-(2-hydroxy-5-nitrophenyl)ethanone InChIKey LNCBPUWMGYOISS-UHFFFAOYSA-N INCHI 1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3 Isomeric SMILES CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O WGK Germany 3 Molecular Weight 181.15 Reaxy-Rn 1570456 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1570456&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 Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Nitrophenols Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 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 - Nitrobenzene - Acetophenone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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 - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity air sensitive Melt Point(°C) 100-104°C Molecular Weight 181.150 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 181.038 Da Monoisotopic Mass 181.038 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 223.000 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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