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· · COA & SDS available for every product · Same-day shipping on in-stock items Isatoic Anhydride - ≥98%(HPLC)(T) , CAS No.118-48-9
Synonyms
Tox21_201325 | A803947 | BP-10896 | DTXSID6026955 | ISATOIC ACID ANHYDRIDE [HSDB] | CAS-118-48-9 | s12335 | 2,4-dioxo-1H-3,1-benzoxazine | ISATOIC ACID ANHYDRIDE | NCGC00257195-01 | 1H-[3,1]benzoxazine-2,4-dione | Isatoic anhydride treated BSA | Isatoic a
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
Tox21_201325 | A803947 | BP-10896 | DTXSID6026955 | ISATOIC ACID ANHYDRIDE [HSDB] | CAS-118-48-9 | s12335 | 2, 4-dioxo-1H-3, 1-benzoxazine | ISATOIC ACID ANHYDRIDE | NCGC00257195-01 | 1H-[3, 1]benzoxazine-2, 4-dione | Isatoic anhydride treated BSA | Isatoic a
Specifications & Purity
≥98%(HPLC)(T)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504751654 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751654 Canonical Smiles C1=CC=C2C(=C1)C(=O)OC(=O)N2 IUPAC Name 1H-3,1-benzoxazine-2,4-dione InChIKey TXJUTRJFNRYTHH-UHFFFAOYSA-N INCHI 1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11) Isomeric SMILES C1=CC=C2C(=C1)C(=O)OC(=O)N2 RTECS DM3100000 Molecular Weight 163.13 Beilstein 27264 Reaxy-Rn 136786 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136786&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 Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Melt Point(°C) 233°C Molecular Weight 163.130 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 163.027 Da Monoisotopic Mass 163.027 Da Topological Polar Surface Area 55.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 226.000 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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