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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,5-Difluoro-4-nitrobenzoic acid methyl ester - ≥97% , CAS No.924868-81-5
Synonyms
AKOS005071566 | Methyl 2,5-difluoro-4-nitrobenzenecarboxylate | methyl-2,5-difluoro-4-nitrobenzoate | methyl2,5-Difluoro-4-nitrobenzoate | DTXSID50594727 | SY239387 | SCHEMBL1560111 | AM62248 | XBUVRWIIEREYFL-UHFFFAOYSA-N | Benzoic acid, 2,5-difluoro-4-ni
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Why this grade ≥97% 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
AKOS005071566 | Methyl 2, 5-difluoro-4-nitrobenzenecarboxylate | methyl-2, 5-difluoro-4-nitrobenzoate | methyl2, 5-Difluoro-4-nitrobenzoate | DTXSID50594727 | SY239387 | SCHEMBL1560111 | AM62248 | XBUVRWIIEREYFL-UHFFFAOYSA-N | Benzoic acid, 2, 5-difluoro-4-ni
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F IUPAC Name methyl 2,5-difluoro-4-nitrobenzoate InChIKey XBUVRWIIEREYFL-UHFFFAOYSA-N INCHI 1S/C8H5F2NO4/c1-15-8(12)4-2-6(10)7(11(13)14)3-5(4)9/h2-3H,1H3 Isomeric SMILES COC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F Alternate CAS 924868-81-5 Molecular Weight 217.13 Reaxy-Rn 18431739 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18431739&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Nitrobenzoic acids and derivatives Alternative Parents 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Methyl esters Vinylogous halides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic salts Organofluorides Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - 2-halobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Methyl ester - Vinylogous halide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. 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 217.130 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 217.019 Da Monoisotopic Mass 217.019 Da Topological Polar Surface Area 72.100 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 268.000 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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