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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one - ≥98% , CAS No.1242156-59-7
Synonyms
1242156-59-7 | DS-0561 | F8889-7431 | 1(2H)-Phthalazinone, 6-(1,1-dimethylethyl)-8-fluoro- | UQLKXNSVRRFDGE-UHFFFAOYSA-N | 6-tert-butyl-8-fluoro-1,2-dihydrophthalazin-1-one | 6-tert-butyl-8-fluorophthalazin-1(2H)-one | 6-tert-butyl-8-fluorophthlazine-1(2H
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Why this grade ≥98% 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
1242156-59-7 | DS-0561 | F8889-7431 | 1(2H)-Phthalazinone, 6-(1, 1-dimethylethyl)-8-fluoro- | UQLKXNSVRRFDGE-UHFFFAOYSA-N | 6-tert-butyl-8-fluoro-1, 2-dihydrophthalazin-1-one | 6-tert-butyl-8-fluorophthalazin-1(2H)-one | 6-tert-butyl-8-fluorophthlazine-1(2H
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)NN=C2 IUPAC Name 6-tert-butyl-8-fluoro-2H-phthalazin-1-one InChIKey UQLKXNSVRRFDGE-UHFFFAOYSA-N INCHI 1S/C12H13FN2O/c1-12(2,3)8-4-7-6-14-15-11(16)10(7)9(13)5-8/h4-6H,1-3H3,(H,15,16) Isomeric SMILES CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)NN=C2 PubChem CID 59473765 Molecular Weight 220.24
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 Organoheterocyclic compounds Class Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Phthalazines Direct Parent Phthalazinones Alternative Parents Pyridazinones Benzenoids Aryl fluorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalazinone - Pyridazinone - Aryl fluoride - Aryl halide - Pyridazine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine 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 Molecular Weight 220.240 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 220.101 Da Monoisotopic Mass 220.101 Da Topological Polar Surface Area 41.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 321.000 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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