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· · COA & SDS available for every product · Same-day shipping on in-stock items Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate - ≥98% , CAS No.61260-15-9
Synonyms
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid | Phosphonic acid, (1,3-dihydro-3-oxo-1-isobenzofuranyl)-, dimethyl ester | dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate | 3-dimethoxyphosphoryl-3H-isobenzofuran-1-one | DTXSID60455870 | dime
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
3-oxo-1, 3-dihydroisobenzofuran-1-ylphosphonic acid | Phosphonic acid, (1, 3-dihydro-3-oxo-1-isobenzofuranyl)-, dimethyl ester | dimethyl (3-oxo-1, 3-dihydro-2-benzofuran-1-yl)phosphonate | 3-dimethoxyphosphoryl-3H-isobenzofuran-1-one | DTXSID60455870 | dime
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC IUPAC Name 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one InChIKey KEKUNQAVGWOYDW-UHFFFAOYSA-N INCHI 1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3 Isomeric SMILES COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC Alternate CAS 61260-15-9 Molecular Weight 242.17 Reaxy-Rn 1645437 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1645437&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 Class Benzofurans Subclass Benzofuranones Intermediate Tree Nodes Not available Direct Parent Benzofuranones Alternative Parents Phthalides Dialkyl alkylphosphonates Phosphonic acid esters Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Benzenoid - Organophosphonic acid derivative - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. 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 Molecular Weight 242.160 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 242.034 Da Monoisotopic Mass 242.034 Da Topological Polar Surface Area 61.800 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 321.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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