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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-iodo-2-methylbenzoate - ≥98% , CAS No.52570-33-9
Synonyms
MFCD12923250 | Methyl 2-methyl-3-iodobenzoate | Methyl3-iodo-2-methylbenzoate | 3-Iodo-2-methyl-benzoic acid methyl ester | SCHEMBL1585766 | METHYL 3-IODO-2-METHYLBENZOATE | IPPPZCXGKFWQEC-UHFFFAOYSA-N | AM803999 | DS-17989 | CCA57033 | DTXSID00576432 | S
Storage
Store at 2-8°C,Protected from light
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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 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 Sinónimos
MFCD12923250 | Methyl 2-methyl-3-iodobenzoate | Methyl3-iodo-2-methylbenzoate | 3-Iodo-2-methyl-benzoic acid methyl ester | SCHEMBL1585766 | METHYL 3-IODO-2-METHYLBENZOATE | IPPPZCXGKFWQEC-UHFFFAOYSA-N | AM803999 | DS-17989 | CCA57033 | DTXSID00576432 | S
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light
Enviado en
Wet ice
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Nombres e identificadores Sonrisas canónicas CC1=C(C=CC=C1I)C(=O)OC IUPAC Name methyl 3-iodo-2-methylbenzoate InChIKey IPPPZCXGKFWQEC-UHFFFAOYSA-N INCHI 1S/C9H9IO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3 Isómeros SMILES CC1=C(C=CC=C1I)C(=O)OC Peso molecular 276.1 Reaxy-Rn 2613418 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613418&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 Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents 3-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 - 3-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 Descripción 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Light sensitive Peso molecular 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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