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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque ácido 4-(etiltio)benzoico - ≥97% , CAS No.13205-49-7
Disponível para encomenda
Synonyms
Z228030812 | EINECS 236-172-0 | SCHEMBL504032 | TS-02544 | Ácido 4-(etiltio)benzoico, 99% | NSC 138415 | AT20800 | LDYCQBKCUOVGDA-UHFFFAOYSA-N | J-006114 | NSC138415 | NSC-138415 | Ácido 4-(etiltio)benzoico | Ácido 4-(etilsulfanil)benzoico | 4-etilsulfani
Storage
Temperatura ambiente
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Temperatura ambiente 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 Sinónimos
Z228030812 | EINECS 236-172-0 | SCHEMBL504032 | TS-02544 | Ácido 4-(etiltio)benzoico, 99% | NSC 138415 | AT20800 | LDYCQBKCUOVGDA-UHFFFAOYSA-N | J-006114 | NSC138415 | NSC-138415 | Ácido 4-(etiltio)benzoico | Ácido 4-(etilsulfanil)benzoico | 4-etilsulfani
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Temperatura ambiente
Nomes e identificadores Pubchem Sid 504755661 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755661 Sorrisos canónicos CCSC1=CC=C(C=C1)C(=O)O IUPAC Name 4-ethylsulfanylbenzoic acid InChIKey LDYCQBKCUOVGDA-UHFFFAOYSA-N INCHI 1S/C9H10O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11) SMILES isoméricas CCSC1=CC=C(C=C1)C(=O)O WGK Alemanha 3 Peso molecular 182.24 Reaxy-Rn 2084037 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084037&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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives Direct Parent P-sulfanylbenzoic acids Alternative Parents Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de fusão (°C) 145-147°C Peso molecular 182.240 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 182.04 Da Monoisotopic Mass 182.04 Da Topological Polar Surface Area 62.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 151.000 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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