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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1,5,6,7-Tetrahydro-4H-indol-4-one - ≥98% , CAS No.13754-86-4
Synonyms
4,5,6,7-TETRAHYDRO-1H-INDOL-4-ONE | NSC 131681 | STK801681 | 1-(1H-1,3-benzimidazol-2-yl)-1-ethanol | 6,7-dihydro-1H-indol-4(5H)-one | SCHEMBL689700 | Z905041600 | 1,5,6,7-TETRAHYDRO-INDOL-4-ONE | 1,5,6,7-tetrahydroindol-4-one | 6,7-Dihydroindol-4(5H)-one
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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 Sinónimos
4, 5, 6, 7-TETRAHYDRO-1H-INDOL-4-ONE | NSC 131681 | STK801681 | 1-(1H-1, 3-benzimidazol-2-yl)-1-ethanol | 6, 7-dihydro-1H-indol-4(5H)-one | SCHEMBL689700 | Z905041600 | 1, 5, 6, 7-TETRAHYDRO-INDOL-4-ONE | 1, 5, 6, 7-tetrahydroindol-4-one | 6, 7-Dihydroindol-4(5H)-one
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488189226 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189226 Sonrisas canónicas C1CC2=C(C=CN2)C(=O)C1 IUPAC Name 1,5,6,7-tetrahydroindol-4-one InChIKey KASJZXHXXNEULX-UHFFFAOYSA-N INCHI 1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 Isómeros SMILES C1CC2=C(C=CN2)C(=O)C1 WGK Alemania 3 PubChem CID 280229 Peso molecular 135.17 Beilstein 21(5)7,431 Reaxy-Rn 1524768
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 Indoles and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Indoles and derivatives Alternative Parents Aryl alkyl ketones Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 188-190 °C Peso molecular 135.160 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 135.068 Da Monoisotopic Mass 135.068 Da Topological Polar Surface Area 32.900 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 155.000 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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