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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(3-Nitrophenyl)-1-phenyl-2-propyn-1-one , CAS No.129972-90-3
Synonyms
3-(3-nitrophenyl)-1-phenyl-2-propyn-1-one | 3-(3-nitrophenyl)-1-phenylprop-2-yn-1-one | SMR000137164 | MLS000532224 | CBMicro_013994 | Cambridge id 5213887 | BDBM41600 | cid_1211724 | DTXSID60361023 | HMS2507G04 | SMSF0004593 | CB08908 | BIM-0014054.P001
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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-(3-nitrophenyl)-1-phenyl-2-propyn-1-one | 3-(3-nitrophenyl)-1-phenylprop-2-yn-1-one | SMR000137164 | MLS000532224 | CBMicro_013994 | Cambridge id 5213887 | BDBM41600 | cid_1211724 | DTXSID60361023 | HMS2507G04 | SMSF0004593 | CB08908 | BIM-0014054.P001
Product Properties Names and Identifiers Canonical Smiles C1=CC=C(C=C1)C(=O)C#CC2=CC(=CC=C2)[N+](=O)[O-] IUPAC Name 3-(3-nitrophenyl)-1-phenylprop-2-yn-1-one InChIKey PPFBVVKWYQVYKJ-UHFFFAOYSA-N INCHI 1S/C15H9NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-8,11H Isomeric SMILES C1=CC=C(C=C1)C(=O)C#CC2=CC(=CC=C2)[N+](=O)[O-] PubChem CID 1211724 Molecular Weight 251.24
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 Not available Intermediate Tree Nodes Not available Direct Parent Linear 1,3-diarylpropanoids Alternative Parents Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl ketones Alpha,beta-unsaturated 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 Linear 1,3-diarylpropanoid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. 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 Molecular Weight 251.240 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 251.058 Da Monoisotopic Mass 251.058 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 406.000 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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