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· · COA & SDS available for every product · Same-day shipping on in-stock items Phthalide - ≥99% , CAS No.87-41-2
Synonyms
PHTHALIDE|1-Phthalanone|1-Isobenzofuranone|Isobenzofuran-1(3H)-one|Phthalolactone|2-Hydroxymethylbenzoic acid, gamma-lactone|1(3H)-Isobenzofuranone|CHLORTALIDONE IMPURITY 7|2-Hydroxymethylbenzoic acid, laquo gammaRaquo -lactone|3H-isobenzofuran-1-one|(3H)-isobenzofuranone|1,3-Dihydrobenzo[C]furan-2-one;2-Benzofuran-1(3H)-one;2-Hydroxymethylbenzoic acid, gamma-lactone;Phthalolactone|isobenzofuran-1-one|1,3-dihydro-2-benzofuran-1-one|1H-Isobenzofuran-3-one|2-Benzofuran-1(3H)-one #|isobenzofuran-1 (3H)-one|Isobenzofuranone|PHTHALIDE [FHFI]|2-Hydroxymethylbenzoic acid, .gamma.-lactone|Phthalanone|3-oxo-1,3-dihydro-isobenzofuran|Butylphthalide Impurity 4|2-Benzofuran-1(3H)-one|1(3H)-Isobenzofuranone-1-11C
Storage
Argon charged,Room temperature
Specifications Synonyms
PHTHALIDE | 1-Phthalanone | 1-Isobenzofuranone | Isobenzofuran-1(3H)-one | Phthalolactone | 2-Hydroxymethylbenzoic acid, gamma-lactone | 1(3H)-Isobenzofuranone | CHLORTALIDONE IMPURITY 7 | 2-Hydroxymethylbenzoic acid, laquo gammaRaquo -lactone | 3H-isobenzofuran-1-one | (3H)-isobenzofuranone | 1,3-Dihydrobenzo[C]furan-2-one;2-Benzofuran-1 Show more
Specifications & Purity
≥99%
Storage
Argon charged,Room temperature
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180189
Canonical Smiles
C1C2=CC=CC=C2C(=O)O1
IUPAC Name
3H-2-benzofuran-1-one
InChIKey
WNZQDUSMALZDQF-UHFFFAOYSA-N
INCHI
1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
Isomeric SMILES
C1C2=CC=CC=C2C(=O)O1
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114632&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Isocoumarans Subclass Isobenzofuranones Intermediate Tree Nodes Not available Direct Parent Phthalides Alternative Parents Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalide - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. External Descriptors 2-benzofurans - gamma-lactone 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 Sensitivity Moisture & light sensitive Refractive Index 1.536 Flash Point(°F) 305.6 °F Flash Point(°C) 152℃ Boil Point(°C) 290°C Melt Point(°C) 70-73°C Molecular Weight 134.130 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 134.037 Da Monoisotopic Mass 134.037 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 153.000 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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