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· · COA & SDS available for every product · Same-day shipping on in-stock items 7-Acetoxy-4-bromomethylcoumarin [for HPLC Labeling] - ≥98%(HPLC)(T) , CAS No.2747-04-8
Synonyms
InChI=1/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H,6H2,1H | 7-Acetoxy-4-(bromomethyl)coumarin | T70703 | CCRIS 7995 | CHEMPACIFIC38168 | AKOS025293905 | Coumarin, 4-(bromomethyl)-7-hydroxy-, acetate | J-016774 | 4-(bromomethyl)-2-oxo-
Storage
Argon charged,Room temperature
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Why this grade ≥98%(HPLC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
InChI=1/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H, 6H2, 1H | 7-Acetoxy-4-(bromomethyl)coumarin | T70703 | CCRIS 7995 | CHEMPACIFIC38168 | AKOS025293905 | Coumarin, 4-(bromomethyl)-7-hydroxy-, acetate | J-016774 | 4-(bromomethyl)-2-oxo-
Specifications & Purity
≥98%(HPLC)(T)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504757745 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757745 Canonical Smiles CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr IUPAC Name [4-(bromomethyl)-2-oxochromen-7-yl] acetate InChIKey YDJFMNSSDOXBSR-UHFFFAOYSA-N INCHI 1S/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H,6H2,1H3 Isomeric SMILES CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr Molecular Weight 297.1 Reaxy-Rn 220616 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=220616&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 Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity light & Moisture sensitive Melt Point(°C) 182 °C Molecular Weight 297.100 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 295.968 Da Monoisotopic Mass 295.968 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 364.000 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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