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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(3-iodo-6-methyl-1h-indazol-1-yl)ethan-1-one - ≥97% , CAS No.1788044-04-1
Synonyms
1-(3-IODO-6-METHYLINDAZOL-1-YL)ETHANONE | 1-(3-iodo-6-methyl-1h-indazol-1-yl)ethan-1-one | Ethanone, 1-(3-iodo-6-methyl-1H-indazol-1-yl)- | AS-52298 | 1788044-04-1 | PB41340 | AKOS025289726 | 1-(3-Iodo-6-methyl-1H-indazol-1-yl)ethanone | DTXSID001249825 |
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Why this grade ≥97% 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
1-(3-IODO-6-METHYLINDAZOL-1-YL)ETHANONE | 1-(3-iodo-6-methyl-1h-indazol-1-yl)ethan-1-one | Ethanone, 1-(3-iodo-6-methyl-1H-indazol-1-yl)- | AS-52298 | 1788044-04-1 | PB41340 | AKOS025289726 | 1-(3-Iodo-6-methyl-1H-indazol-1-yl)ethanone | DTXSID001249825 |
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1=CC2=C(C=C1)C(=NN2C(=O)C)I IUPAC Name 1-(3-iodo-6-methylindazol-1-yl)ethanone InChIKey IPAZEINJZCFSOR-UHFFFAOYSA-N INCHI 1S/C10H9IN2O/c1-6-3-4-8-9(5-6)13(7(2)14)12-10(8)11/h3-5H,1-2H3 Isomeric SMILES CC1=CC2=C(C=C1)C(=NN2C(=O)C)I Alternate CAS 1788044-04-1 PubChem CID 91825888 Molecular Weight 300.1
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 Benzopyrazoles Subclass Indazoles Intermediate Tree Nodes Not available Direct Parent Indazoles Alternative Parents Benzenoids Heteroaromatic compounds Azoles Acetamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzopyrazole - Benzenoid - Heteroaromatic compound - Acetamide - Azole - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. 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 300.100 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 299.976 Da Monoisotopic Mass 299.976 Da Topological Polar Surface Area 34.900 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 246.000 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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