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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-iodophenylacetate - ≥98% , CAS No.63349-52-0
Synonyms
SCHEMBL829305 | A917578 | IYIVBGQBEMSRLO-UHFFFAOYSA-N | MFCD09752980 | 4-IODPHENYLACETIC ACID METHYL ESTER | 4-iodophenyl acetic acid methyl ester | 4-iodo phenyl acetic acid methyl ester | DTXSID30439006 | methyl-(4-iodophenyl)-acetate | methyl(4-iodophe
Storage
Store at 2-8°C,Protected from light,Desiccated
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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,Protected from light,Desiccated 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
SCHEMBL829305 | A917578 | IYIVBGQBEMSRLO-UHFFFAOYSA-N | MFCD09752980 | 4-IODPHENYLACETIC ACID METHYL ESTER | 4-iodophenyl acetic acid methyl ester | 4-iodo phenyl acetic acid methyl ester | DTXSID30439006 | methyl-(4-iodophenyl)-acetate | methyl(4-iodophe
Specifications & Purity
≥98%
Storage
Store at 2-8°C,Protected from light,Desiccated
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)CC1=CC=C(C=C1)I
IUPAC Name
methyl 2-(4-iodophenyl)acetate
InChIKey
IYIVBGQBEMSRLO-UHFFFAOYSA-N
INCHI
1S/C9H9IO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
Isomeric SMILES
COC(=O)CC1=CC=C(C=C1)I
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613993&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 Halobenzenes Intermediate Tree Nodes Not available Direct Parent Iodobenzenes Alternative Parents Aryl iodides Methyl esters Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Iodobenzene - Aryl iodide - Aryl halide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. 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 276.070 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 275.965 Da Monoisotopic Mass 275.965 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 151.000 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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