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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-iodo-1H-pyrrole-2-carboxylate - ≥97% , CAS No.40740-41-8
Synonyms
SY029016 | J-522361 | 4-iodo-2-methoxycarbonylpyrrole | Methyl4-Iodopyrrole-2-carboxylate | SCHEMBL370477 | BC-0819 | 4-IODOPYRROLE-2-CARBOXYLIC ACID METHYL ESTER | KRNGDJYQOKCQCD-UHFFFAOYSA-N | Methyl 4-iodo-1H-pyrrole-2-carboxylate | 1H-Pyrrole-2-carbox
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light 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
SY029016 | J-522361 | 4-iodo-2-methoxycarbonylpyrrole | Methyl4-Iodopyrrole-2-carboxylate | SCHEMBL370477 | BC-0819 | 4-IODOPYRROLE-2-CARBOXYLIC ACID METHYL ESTER | KRNGDJYQOKCQCD-UHFFFAOYSA-N | Methyl 4-iodo-1H-pyrrole-2-carboxylate | 1H-Pyrrole-2-carbox
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light
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(=CN1)I IUPAC Name methyl 4-iodo-1H-pyrrole-2-carboxylate InChIKey KRNGDJYQOKCQCD-UHFFFAOYSA-N INCHI 1S/C6H6INO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 Isomeric SMILES COC(=O)C1=CC(=CN1)I Alternate CAS 40740-41-8 PubChem CID 11673249 Molecular Weight 251.02
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 Organoheterocyclic compounds Class Pyrroles Subclass Pyrrole carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrrole carboxylic acids and derivatives Alternative Parents Substituted pyrroles Aryl iodides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrrole-2-carboxylic acid or derivatives - Aryl halide - Aryl iodide - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). 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 Sensitivity Light sensitive Molecular Weight 251.020 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 250.944 Da Monoisotopic Mass 250.944 Da Topological Polar Surface Area 42.100 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 140.000 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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