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· · COA & SDS available for every product · Same-day shipping on in-stock items 5'-Bromo-2'-hydroxy-3'-nitroacetophenone - ≥98% , CAS No.70978-54-0
Synonyms
AKOS000112352 | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one | MFCD01631134 | CLNIBJASCGZXHH-UHFFFAOYSA-N | 3-Bromo-6-hydroxy-5-nitroacetophenone | AN-829/40882313 | 5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxy-3 inverted excl
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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 Synonyms
AKOS000112352 | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one | MFCD01631134 | CLNIBJASCGZXHH-UHFFFAOYSA-N | 3-Bromo-6-hydroxy-5-nitroacetophenone | AN-829/40882313 | 5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxy-3 inverted excl
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O IUPAC Name 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone InChIKey CLNIBJASCGZXHH-UHFFFAOYSA-N INCHI 1S/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3 Isomeric SMILES CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O WGK Germany 3 Molecular Weight 260.04 Reaxy-Rn 2583888 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2583888&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 Acetophenones Nitrobenzenes Aryl alkyl ketones P-bromophenols Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Vinylogous acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Nitrophenol - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - 4-halophenol - 4-bromophenol - Aryl alkyl ketone - Bromobenzene - Halobenzene - Phenol - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organobromide - Organonitrogen compound - Organohalogen compound - 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 Melt Point(°C) 131 °C Molecular Weight 260.040 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 258.948 Da Monoisotopic Mass 258.948 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 252.000 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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