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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-mercaptobenzoate - ≥95% , CAS No.6302-65-4
Synonyms
DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-41242 | SCHEMBL197525 | Benzoic acid, 4-mercapto-, methyl ester | Methyl4-mercaptobenzoate | BTZOMWXSWVOOHG-UHFFFAOYSA-N | Z56755743 | METHYL
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged 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.
Descripción general Methyl 4-Mercaptobenzoate is a useful synthetic intermediate.
Specifications Sinónimos
DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-41242 | SCHEMBL197525 | Benzoic acid, 4-mercapto-, methyl ester | Methyl4-mercaptobenzoate | BTZOMWXSWVOOHG-UHFFFAOYSA-N | Z56755743 | METHYL
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC=C(C=C1)S IUPAC Name methyl 4-sulfanylbenzoate InChIKey BTZOMWXSWVOOHG-UHFFFAOYSA-N INCHI 1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3 Isómeros SMILES COC(=O)C1=CC=C(C=C1)S Peso molecular 168.22 Reaxy-Rn 2086264 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086264&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 Sulfanylbenzoic acids and derivatives Direct Parent P-sulfanylbenzoic acids and derivatives Alternative Parents Benzoic acid esters Thiophenols Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-sulfanylbenzoic acid or derivatives - Benzoate ester - Thiophenol - Benzoyl - Methyl ester - Carboxylic acid ester - Arylthiol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively. 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 Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Acetate, Acetone, Chloroform, Dichloromethane, DMSO, Ethanol, Ethyl DMF and Methanol Sensibilidad Air sensitive Punto de fusión (°C) 33-36°C Peso molecular 168.210 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 168.025 Da Monoisotopic Mass 168.025 Da Topological Polar Surface Area 27.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 139.000 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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