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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-Nitro-2H-1,4-benzoxazin-3(4H)-one - ≥98%(HPLC) , CAS No.81721-87-1
Synonyms
3-Oxo-6-nitro-3,4-dihydro-2H-1,4-benzoxazine | 6-nitro-3-oxo-3,4-dihydro-(2H)-1,4-benzoxazine | FT-0653422 | 6-Nitro-2H-1,4-benzoxazin-3(4H)-one | UPCMLD0ENAT5685869:001 | 6-Nitro-2H-[1,4]benzoxazin-3(4H)-one | 6-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
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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
3-Oxo-6-nitro-3, 4-dihydro-2H-1, 4-benzoxazine | 6-nitro-3-oxo-3, 4-dihydro-(2H)-1, 4-benzoxazine | FT-0653422 | 6-Nitro-2H-1, 4-benzoxazin-3(4H)-one | UPCMLD0ENAT5685869:001 | 6-Nitro-2H-[1, 4]benzoxazin-3(4H)-one | 6-nitro-3, 4-dihydro-2H-1, 4-benzoxazin-3-one
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Pubchem Sid 488193370 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488193370 Canonical Smiles C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-] IUPAC Name 6-nitro-4H-1,4-benzoxazin-3-one InChIKey UNYXDJBNODSRRC-UHFFFAOYSA-N INCHI 1S/C8H6N2O4/c11-8-4-14-7-2-1-5(10(12)13)3-6(7)9-8/h1-3H,4H2,(H,9,11) Isomeric SMILES C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-] WGK Germany 3 Molecular Weight 194.15 Reaxy-Rn 197742 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=197742&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 Organoheterocyclic compounds Class Benzoxazines Subclass Benzoxazinones Intermediate Tree Nodes Not available Direct Parent Benzoxazinones Alternative Parents Benzomorpholines Nitroaromatic compounds Alkyl aryl ethers Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazinone - Benzomorpholine - Nitroaromatic compound - Alkyl aryl ether - Oxazinane - Benzenoid - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone 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 Hygroscopic Melt Point(°C) 236.0to240.0℃ Molecular Weight 194.140 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 194.033 Da Monoisotopic Mass 194.033 Da Topological Polar Surface Area 84.200 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 263.000 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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