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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate - ≥98% , CAS No.478169-68-5
Synonyms
FT-0700590 | methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate | SC5125 | SCHEMBL5229457 | C13H16O3Si | methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate | IGKWQEJDFVUAME-UHFFFAOYSA-N | MFCD27959379 | Methyl3-hydroxy-4-((trimethylsilyl)ethynyl)benzo
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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.
Specifications Synonyms
FT-0700590 | methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate | SC5125 | SCHEMBL5229457 | C13H16O3Si | methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate | IGKWQEJDFVUAME-UHFFFAOYSA-N | MFCD27959379 | Methyl3-hydroxy-4-((trimethylsilyl)ethynyl)benzo
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles COC(=O)C1=CC(=C(C=C1)C#C[Si](C)(C)C)O IUPAC Name methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate InChIKey IGKWQEJDFVUAME-UHFFFAOYSA-N INCHI 1S/C13H16O3Si/c1-16-13(15)11-6-5-10(12(14)9-11)7-8-17(2,3)4/h5-6,9,14H,1-4H3 Isomeric SMILES COC(=O)C1=CC(=C(C=C1)C#C[Si](C)(C)C)O Molecular Weight 248.35 Reaxy-Rn 10547177 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10547177&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 Benzoic acid esters Direct Parent m-Hydroxybenzoic acid esters Alternative Parents Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Trialkylsilanes Organic metalloid salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-hydroxybenzoic acid ester - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Carboxylic acid ester - Trialkylsilane - Carboxylic acid derivative - Organic metalloid salt - Organic oxygen compound - Alkylsilane - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group. 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 248.350 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 248.087 Da Monoisotopic Mass 248.087 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 345.000 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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