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· · COA & SDS available for every product · Same-day shipping on in-stock items 7-Fluoro-6-nitroquinazolin-4(1H)-one - ≥98%(HPLC) , CAS No.162012-69-3
Synonyms
7-FLUORO-6-NITRO-3H-QUINAZOLIN-4-ONE | InChI=1/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13) | NCGC00184045-16 | 7-fluoro-4-hydroxy-6-nitroquinazoline | 1-Benzyl-2,5-bis(chloromethyl)piperidine hydrochloride | VTUAEMSZEIGQRM-UHFFFA
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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
7-FLUORO-6-NITRO-3H-QUINAZOLIN-4-ONE | InChI=1/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H, (H, 10, 11, 13) | NCGC00184045-16 | 7-fluoro-4-hydroxy-6-nitroquinazoline | 1-Benzyl-2, 5-bis(chloromethyl)piperidine hydrochloride | VTUAEMSZEIGQRM-UHFFFA
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Pubchem Sid 488202819 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488202819 Canonical Smiles C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O IUPAC Name 7-fluoro-6-nitro-3H-quinazolin-4-one InChIKey VTUAEMSZEIGQRM-UHFFFAOYSA-N INCHI 1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13) Isomeric SMILES C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O Molecular Weight 209.14 Reaxy-Rn 7481719 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7481719&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 Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Quinazolines Direct Parent Quinazolinamines Alternative Parents Nitroaromatic compounds Pyrimidones Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organofluorides Organonitrogen compounds Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Quinazolinamine - Nitroaromatic compound - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. 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 Melt Point(°C) 288 °C Molecular Weight 209.130 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 0 Exact Mass 209.024 Da Monoisotopic Mass 209.024 Da Topological Polar Surface Area 87.300 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 328.000 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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