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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Nitrochalcone - ≥98% , CAS No.614-48-2
Synonyms
STK078154 | M-nitrobenzylidene acetophenone | NSC 5536 | NCGC00161439-01 | UPCMLD00WMAL2-117 | (E)-3-(3-Nitrophenyl)-1-phenyl-2-propen-1-one | 2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-, (E)- | EINECS 210-384-3 | (E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1
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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
STK078154 | M-nitrobenzylidene acetophenone | NSC 5536 | NCGC00161439-01 | UPCMLD00WMAL2-117 | (E)-3-(3-Nitrophenyl)-1-phenyl-2-propen-1-one | 2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-, (E)- | EINECS 210-384-3 | (E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504763771 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763771 Canonical Smiles C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-] IUPAC Name (E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one InChIKey SMFBODMWKWBFOK-MDZDMXLPSA-N INCHI 1S/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H/b10-9+ Isomeric SMILES C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] RTECS FL7075490 Molecular Weight 253.26 Reaxy-Rn 1464265 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1464265&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 Phenylpropanoids and polyketides Class Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent Retrochalcones Alternative Parents Nitrobenzenes Styrenes Nitroaromatic compounds Benzoyl derivatives Aryl ketones Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Retrochalcone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 144 °C Molecular Weight 253.250 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 253.074 Da Monoisotopic Mass 253.074 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 353.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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