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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Hydroxy-3-nitrocoumarin - ≥98%(HPLC) , CAS No.20261-31-8
Synonyms
4-Hydroxy-3-nitrocoumarin | 4-Hydroxy-3-nitro-chromen-2-one | 4-hydroxy-3-nitrochromen-2-one | DTXSID50174104 | Oprea1_436551 | A899510 | H1458 | Coumarin, 4-hydroxy-3-nitro- | SR-01000389274 | AKOS015916521 | STL015640 | NSC 519722 | Q27293859 | D91034 |
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Why this grade ≥98%(HPLC) 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
4-Hydroxy-3-nitrocoumarin | 4-Hydroxy-3-nitro-chromen-2-one | 4-hydroxy-3-nitrochromen-2-one | DTXSID50174104 | Oprea1_436551 | A899510 | H1458 | Coumarin, 4-hydroxy-3-nitro- | SR-01000389274 | AKOS015916521 | STL015640 | NSC 519722 | Q27293859 | D91034 |
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Pubchem Sid 488201696 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201696 Canonical Smiles C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O IUPAC Name 4-hydroxy-3-nitrochromen-2-one InChIKey NZQAQAUWFHMVEM-UHFFFAOYSA-N INCHI 1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H Isomeric SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O WGK Germany 3 Molecular Weight 207.14 Reaxy-Rn 1247343 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1247343&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 Coumarins and derivatives Subclass Hydroxycoumarins Intermediate Tree Nodes Not available Direct Parent 4-hydroxycoumarins Alternative Parents 1-benzopyrans Nitroaromatic compounds Pyranones and derivatives Benzenoids Vinylogous acids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 171 °C(dec.) Molecular Weight 207.140 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 0 Exact Mass 207.017 Da Monoisotopic Mass 207.017 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 343.000 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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