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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-fluoro-5-methoxy-4-nitro-benzoic acid - ≥97% , CAS No.1001345-80-7
Synonyms
SCHEMBL1675593 | 1001345-80-7 | JXCYBTVSPGQRCM-UHFFFAOYSA-N | Benzoic acid, 2-fluoro-5-methoxy-4-nitro- | MFCD26395470 | 2-fluoro-5-methoxy-4-nitrobenzoicacid | 2-fluoro-5-methoxy-4-nitrobenzoic acid | 2-fluoro-5-methoxy-4-nitro-benzoic acid | O10784 | DS
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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
SCHEMBL1675593 | 1001345-80-7 | JXCYBTVSPGQRCM-UHFFFAOYSA-N | Benzoic acid, 2-fluoro-5-methoxy-4-nitro- | MFCD26395470 | 2-fluoro-5-methoxy-4-nitrobenzoicacid | 2-fluoro-5-methoxy-4-nitrobenzoic acid | 2-fluoro-5-methoxy-4-nitro-benzoic acid | O10784 | DS
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC1=C(C=C(C(=C1)C(=O)O)F)[N+](=O)[O-] IUPAC Name 2-fluoro-5-methoxy-4-nitrobenzoic acid InChIKey JXCYBTVSPGQRCM-UHFFFAOYSA-N INCHI 1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12) Isomeric SMILES COC1=C(C=C(C(=C1)C(=O)O)F)[N+](=O)[O-] PubChem CID 57955614 Molecular Weight 215.14
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 M-methoxybenzoic acids and derivatives Nitrophenyl ethers 2-halobenzoic acids Halobenzoic acids Benzoic acids Methoxyanilines 1-carboxy-2-haloaromatic compounds Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Methoxyaniline - Methoxybenzene - Phenol ether - 1-carboxy-2-haloaromatic compound - Benzoyl - Nitroaromatic compound - Phenoxy compound - Anisole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Ether - Organic salt - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - 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 215.130 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 215.023 Da Monoisotopic Mass 215.023 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 266.000 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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