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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Bromoisochroman-4-one - ≥97% , CAS No.676134-68-2
Synonyms
6-Bromoisochroman-4-one|676134-68-2|6-Bromo-4-Isochromanone|6-bromo-1H-isochromen-4-one|6-Bromo-isochroman-4-one|1H-2-Benzopyran-4(3H)-one, 6-bromo-|6-bromo-3,4-dihydro-1H-2-benzopyran-4-one|6-bromo-isochromen-4-one|SCHEMBL3174866|DTXSID80670467|KOROTCDTJ
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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 Sinónimos
6-Bromoisochroman-4-one | 676134-68-2 | 6-Bromo-4-Isochromanone | 6-bromo-1H-isochromen-4-one | 6-Bromo-isochroman-4-one | 1H-2-Benzopyran-4(3H)-one, 6-bromo- | 6-bromo-3, 4-dihydro-1H-2-benzopyran-4-one | 6-bromo-isochromen-4-one | SCHEMBL3174866 | DTXSID80670467 | KOROTCDTJ
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1C2=C(C=C(C=C2)Br)C(=O)CO1 IUPAC Name 6-bromo-1H-isochromen-4-one InChIKey KOROTCDTJPLXMA-UHFFFAOYSA-N INCHI 1S/C9H7BrO2/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3H,4-5H2 Isómeros SMILES C1C2=C(C=C(C=C2)Br)C(=O)CO1 Peso molecular 227.06 Reaxy-Rn 14464440 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14464440&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 Benzopyrans Subclass 2-benzopyrans Intermediate Tree Nodes Not available Direct Parent 2-benzopyrans Alternative Parents Aryl alkyl ketones Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 2-benzopyran - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Benzenoid - Ketone - Dialkyl ether - Ether - Oxacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. 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 Peso molecular 227.050 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 225.963 Da Monoisotopic Mass 225.963 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 193.000 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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