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· · COA & SDS available for every product · Same-day shipping on in-stock items Dimethyl 5-fluoroisophthalate - ≥98% , CAS No.17449-48-8
Synonyms
DIMETHYL5-FLUOROISOPHTHALATE | DIMETHYL 5-FLUOROISOPHTHALATE | 5-Fluoroisophthalic acid dimethylester | AKOS015888174 | s10891 | DS-15207 | FT-0712047 | SCHEMBL1401499 | Dimethyl 5-fluorobenzene-1,3-dicarboxylate | MFCD00230549 | SY005349 | XEOLLJWHFPBAMQ
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
DIMETHYL5-FLUOROISOPHTHALATE | DIMETHYL 5-FLUOROISOPHTHALATE | 5-Fluoroisophthalic acid dimethylester | AKOS015888174 | s10891 | DS-15207 | FT-0712047 | SCHEMBL1401499 | Dimethyl 5-fluorobenzene-1, 3-dicarboxylate | MFCD00230549 | SY005349 | XEOLLJWHFPBAMQ
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C1=CC(=CC(=C1)F)C(=O)OC IUPAC Name dimethyl 5-fluorobenzene-1,3-dicarboxylate InChIKey XEOLLJWHFPBAMQ-UHFFFAOYSA-N INCHI 1S/C10H9FO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3 Isomeric SMILES COC(=O)C1=CC(=CC(=C1)F)C(=O)OC Molecular Weight 212.17 Reaxy-Rn 2116567 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116567&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 Phthalic acid and derivatives - Phthalate esters Direct Parent m-Phthalate esters Alternative Parents M-phthalic acid and derivatives Benzoic acid esters 3-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Methyl esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton. 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 212.170 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 212.048 Da Monoisotopic Mass 212.048 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 230.000 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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