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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-Bromo-4-hydroxycoumarin - ≥98% , CAS No.4139-61-1
Synonyms
2H-1-Benzopyran-2-one, 6-bromo-4-hydroxy- | KNMCTCABMSGXGR-UHFFFAOYSA-N | Q27451062 | 4-hydroxy-6-bromocoumarin | SCHEMBL2761544 | 6-Bromo-4-Hydroxycoumarin | AKOS005203312 | B4699 | 0FO | F1967-2400 | 6-Bromo-4-hydroxy-2H-1-Benzopyran-2-one | CCG-244315
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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 Synonyms
2H-1-Benzopyran-2-one, 6-bromo-4-hydroxy- | KNMCTCABMSGXGR-UHFFFAOYSA-N | Q27451062 | 4-hydroxy-6-bromocoumarin | SCHEMBL2761544 | 6-Bromo-4-Hydroxycoumarin | AKOS005203312 | B4699 | 0FO | F1967-2400 | 6-Bromo-4-hydroxy-2H-1-Benzopyran-2-one | CCG-244315
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488201707 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201707 Canonical Smiles C1=CC2=C(C=C1Br)C(=CC(=O)O2)O IUPAC Name 6-bromo-4-hydroxychromen-2-one InChIKey KNMCTCABMSGXGR-UHFFFAOYSA-N INCHI 1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H Isomeric SMILES C1=CC2=C(C=C1Br)C(=CC(=O)O2)O Molecular Weight 241.04 Reaxy-Rn 1284965 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1284965&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 Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Hydroxycoumarins Intermediate Tree Nodes Not available Direct Parent 4-hydroxycoumarins Alternative Parents 1-benzopyrans Pyranones and derivatives Benzenoids Aryl bromides Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 277°C Molecular Weight 241.040 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 239.942 Da Monoisotopic Mass 239.942 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 262.000 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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