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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Isoquinoline-1,3(2H,4H)-dione - ≥96% , CAS No.4456-77-3
Synonyms
HMS1734A04 | 1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE | Isoquinoline-1,3(2H,4H)-dione | STL214583 | NSC409146 | NSC-409146 | 1,3,4-Tetrahydro-1,3-dioxoisoquinoline | A18787 | AM20100718 | DTXSID50325194 | SCHEMBL422023 | 1,3(2H,4H)-Isoquinolinedione | AM2
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Why this grade ≥96% 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 Sinónimos
HMS1734A04 | 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-1, 3-DIONE | Isoquinoline-1, 3(2H, 4H)-dione | STL214583 | NSC409146 | NSC-409146 | 1, 3, 4-Tetrahydro-1, 3-dioxoisoquinoline | A18787 | AM20100718 | DTXSID50325194 | SCHEMBL422023 | 1, 3(2H, 4H)-Isoquinolinedione | AM2
Especificaciones y pureza
≥96%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488189595 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189595 Sonrisas canónicas C1C2=CC=CC=C2C(=O)NC1=O IUPAC Name 4H-isoquinoline-1,3-dione InChIKey QGNQEODJYRGEJX-UHFFFAOYSA-N INCHI 1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12) Isómeros SMILES C1C2=CC=CC=C2C(=O)NC1=O Peso molecular 161.16 Reaxy-Rn 472916 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472916&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 Clase Isoquinolines and derivatives Subclass 1,3-isoquinolinediones Intermediate Tree Nodes Not available Direct Parent 1,3-isoquinolinediones Alternative Parents Isoquinolones and derivatives Tetrahydroisoquinolines Benzenoids N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 161.160 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 161.048 Da Monoisotopic Mass 161.048 Da Topological Polar Surface Area 46.200 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 225.000 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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