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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-Iodo-3-methylbenzoate - ≥98%(GC) , CAS No.5471-81-8
Synonyms
? Methyl 4-Iodo-3-methylbenzoate | 4-Iodo-3-methylbenzoic Acid Methyl Ester | 4-iodo-3-methyl-benzoic acid methyl ester | methyl 3-methyl-4-iodobenzoate | AKOS015890338 | W13078 | 4-Iodo-m-toluic acid, methyl ester | A7955 | FT-0647533 | AC-4222 | EN300-1
Storage
Protected from light,Room temperature
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,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.
Overview application：
Methyl 4-iodo-3-methylbenzoate is used in the synthesis of novel colchicine-derived nitrate esters as immunosuppressant agents
Specifications Synonyms
? Methyl 4-Iodo-3-methylbenzoate | 4-Iodo-3-methylbenzoic Acid Methyl Ester | 4-iodo-3-methyl-benzoic acid methyl ester | methyl 3-methyl-4-iodobenzoate | AKOS015890338 | W13078 | 4-Iodo-m-toluic acid, methyl ester | A7955 | FT-0647533 | AC-4222 | EN300-1
Specifications & Purity
≥98%(GC)
Storage
Protected from light, Room temperature
Names and Identifiers Pubchem Sid 488188827 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188827 Canonical Smiles CC1=C(C=CC(=C1)C(=O)OC)I IUPAC Name methyl 4-iodo-3-methylbenzoate InChIKey HCSGWQGKCVQIRM-UHFFFAOYSA-N INCHI 1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3 Isomeric SMILES CC1=C(C=CC(=C1)C(=O)OC)I Molecular Weight 276.07 Reaxy-Rn 2575649 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575649&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 Benzoic acid esters Alternative Parents 4-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Iodobenzenes Aryl iodides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 Solubility Slightly soluble in methanol Sensitivity Light sensitive Boil Point(°C) 106 °C/4 mmHg Melt Point(°C) 59-62℃ Molecular Weight 276.070 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 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 170.000 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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