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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,4-Dihydro-2H-isoquinolin-1-one - ≥97% , CAS No.1196-38-9
Synonyms
AKOS002232785 | J-511194 | AB07451 | Oprea1_511002 | SY021304 | Q27461749 | AM20020275 | dihydroisoquinolone | BCP27476 | DTXCID605716 | (6-(1-Methyl-propyl)-2,4-dinitro-phenyl)-3,3-dimethyl-acrylat | DTXSID40152517 | 7R-1504 | 1-Keto-1,2,3,4-tetrahydrois
Storage
Room temperature,Argon charged
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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,Argon charged 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
AKOS002232785 | J-511194 | AB07451 | Oprea1_511002 | SY021304 | Q27461749 | AM20020275 | dihydroisoquinolone | BCP27476 | DTXCID605716 | (6-(1-Methyl-propyl)-2, 4-dinitro-phenyl)-3, 3-dimethyl-acrylat | DTXSID40152517 | 7R-1504 | 1-Keto-1, 2, 3, 4-tetrahydrois
Specifications & Purity
≥97%
Storage
Room temperature, Argon charged
Names and Identifiers Pubchem Sid 488188225 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188225 Canonical Smiles C1CNC(=O)C2=CC=CC=C21 IUPAC Name 3,4-dihydro-2H-isoquinolin-1-one InChIKey YWPMKTWUFVOFPL-UHFFFAOYSA-N INCHI 1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11) Isomeric SMILES C1CNC(=O)C2=CC=CC=C21 PubChem CID 150896 Molecular Weight 147.17
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 Isoquinolines and derivatives Subclass Isoquinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Isoquinolones and derivatives Alternative Parents Tetrahydroisoquinolines Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoquinolone - Tetrahydroisoquinoline - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. 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 Sensitivity air sensitive Melt Point(°C) 67 °C Molecular Weight 147.170 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 147.068 Da Monoisotopic Mass 147.068 Da Topological Polar Surface Area 29.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 167.000 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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