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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Phenylphthalide - ≥98% , CAS No.5398-11-8
Synonyms
EINECS 226-426-9 | MFCD00023099 | NSC 4572 | 2-Propanol, 1-amino-, (2S)- | 1(3H)-Isobenzofuranone, 3-phenyl- | FT-0616343 | Ethanone, 1-(4-(3-chloropropoxy)-3-methoxyphenyl)- | FT-0616344 | 3-Phenylisobenzofuran-1(3H)-one | ?3-PHENYLPHTHALIDE | WLN: T56 B
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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
EINECS 226-426-9 | MFCD00023099 | NSC 4572 | 2-Propanol, 1-amino-, (2S)- | 1(3H)-Isobenzofuranone, 3-phenyl- | FT-0616343 | Ethanone, 1-(4-(3-chloropropoxy)-3-methoxyphenyl)- | FT-0616344 | 3-Phenylisobenzofuran-1(3H)-one | ?3-PHENYLPHTHALIDE | WLN: T56 B
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488186903 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186903 Canonical Smiles C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 IUPAC Name 3-phenyl-3H-2-benzofuran-1-one InChIKey SQFMIHCARVMICF-UHFFFAOYSA-N INCHI 1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H Isomeric SMILES C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 RTECS TI3800000 PubChem CID 95365 Molecular Weight 210.23 Beilstein 17(5)10,452 Reaxy-Rn 159678
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 Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 118 °C Molecular Weight 210.230 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 210.068 Da Monoisotopic Mass 210.068 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 268.000 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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