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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one , CAS No.7501-38-4
Synonyms
2-(2-nitrophenyl)-3,1-benzoxazin-4-one | 2-(2-nitrophenyl)-4H-3,1-benzoxazin-4-one | MLS000551096 | 2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | SMR000174492 | 2-(2-Nitrophenyl)-4H-benzo[d][1,3]oxazin-4-one | NSC406466 | CBMicro_014967 | Oprea1_056273 |
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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
2-(2-nitrophenyl)-3, 1-benzoxazin-4-one | 2-(2-nitrophenyl)-4H-3, 1-benzoxazin-4-one | MLS000551096 | 2-(2-Nitro-phenyl)-benzo[d][1, 3]oxazin-4-one | SMR000174492 | 2-(2-Nitrophenyl)-4H-benzo[d][1, 3]oxazin-4-one | NSC406466 | CBMicro_014967 | Oprea1_056273 |
Product Properties Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-] IUPAC Name 2-(2-nitrophenyl)-3,1-benzoxazin-4-one InChIKey DWCFIKGNUJGZBZ-UHFFFAOYSA-N INCHI 1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H Isomeric SMILES C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-] Molecular Weight 268.22 Reaxy-Rn 254235 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=254235&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 Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Nitrobenzenes Nitroaromatic compounds Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). 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 268.220 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 268.048 Da Monoisotopic Mass 268.048 Da Topological Polar Surface Area 84.500 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 443.000 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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