The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 6-Nitrophthalide - ≥95% , CAS No.610-93-5
Synonyms
MFCD00033529 | NSC11332 | NSC-11332 | 35QB7T32YC | SCHEMBL1684401 | 4Et2OHbicycloNo2,6diene4carboxylate | 6-nitro-1,3-dihydro-2-benzofuran-1-one | Maybridge1_005101 | Phthalide, 6-nitro- | 6-nitroisobenzofuran-1-(3H)-one | 6-Nitroisobenzofuran-1(3H)-one |
🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
MFCD00033529 | NSC11332 | NSC-11332 | 35QB7T32YC | SCHEMBL1684401 | 4Et2OHbicycloNo2, 6diene4carboxylate | 6-nitro-1, 3-dihydro-2-benzofuran-1-one | Maybridge1_005101 | Phthalide, 6-nitro- | 6-nitroisobenzofuran-1-(3H)-one | 6-Nitroisobenzofuran-1(3H)-one |
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 504757932 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757932 Canonical Smiles C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1 IUPAC Name 6-nitro-3H-2-benzofuran-1-one InChIKey RNWGZXAHUPFXLL-UHFFFAOYSA-N INCHI 1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2 Isomeric SMILES C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1 WGK Germany 3 Molecular Weight 179.13 Reaxy-Rn 157634 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=157634&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 Isocoumarans Subclass Isobenzofuranones Intermediate Tree Nodes Not available Direct Parent Phthalides Alternative Parents Nitroaromatic compounds Benzenoids Lactones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalide - Nitroaromatic compound - Benzenoid - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen 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 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 143.0~147.0 °C Molecular Weight 179.130 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 179.022 Da Monoisotopic Mass 179.022 Da Topological Polar Surface Area 72.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 247.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
L2118077