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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Ethyl 3-isothiocyanatobutyrate - ≥95% , CAS No.206750-29-0
Disponível para encomenda
Synonyms
Ethyl 3-isothiocyanatobutyrate|206750-29-0|Ethyl 3-isothiocyanatobutanoate|Ethyl dl-3-isothiocyanatobutyrate|Butanoic acid, 3-isothiocyanato-, ethyl ester|SCHEMBL1456992|DTXSID90339871|Ethyl 3-isothiocyanatobutanoate #|MFCD00041107|AKOS006229640|FS-5670|3
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Why this grade ≥95% 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 Sinónimos
Ethyl 3-isothiocyanatobutyrate | 206750-29-0 | Ethyl 3-isothiocyanatobutanoate | Ethyl dl-3-isothiocyanatobutyrate | Butanoic acid, 3-isothiocyanato-, ethyl ester | SCHEMBL1456992 | DTXSID90339871 | Ethyl 3-isothiocyanatobutanoate # | MFCD00041107 | AKOS006229640 | FS-5670 | 3
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Pubchem Sid 528758429 Sorrisos canónicos CCOC(=O)CC(C)N=C=S IUPAC Name ethyl 3-isothiocyanatobutanoate InChIKey BJPWLYQGLIRJLZ-UHFFFAOYSA-N INCHI 1S/C7H11NO2S/c1-3-10-7(9)4-6(2)8-5-11/h6H,3-4H2,1-2H3 SMILES isoméricas CCOC(=O)CC(C)N=C=S Peso molecular 173.24 Reaxy-Rn 13173530 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13173530&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 Lipids and lipid-like molecules Classe Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid esters Alternative Parents Isothiocyanates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - Carboxylic acid ester - Isothiocyanate - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound Descrição This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de ebulição (°C) 88°/5mm Peso molecular 173.240 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 173.051 Da Monoisotopic Mass 173.051 Da Topological Polar Surface Area 70.800 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 175.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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