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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Isopropoxypropionitrile - ≥95% , CAS No.110-47-4
Synonyms
Propanenitrile, 3-(1-methylethoxy)- | 3-Isopropoxypropiononitrile | BB 0254963 | FT-0631615 | 3-Isopropoxypropanenitrile | 3-propan-2-yloxypropanenitrile | AI3-17772 | 3-Isopropoxypropionitrile | W-109405 | DTXSID4059388 | UNII-NQ9G6S48X9 | SCHEMBL641736
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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
Propanenitrile, 3-(1-methylethoxy)- | 3-Isopropoxypropiononitrile | BB 0254963 | FT-0631615 | 3-Isopropoxypropanenitrile | 3-propan-2-yloxypropanenitrile | AI3-17772 | 3-Isopropoxypropionitrile | W-109405 | DTXSID4059388 | UNII-NQ9G6S48X9 | SCHEMBL641736
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C)OCCC#N IUPAC Name 3-propan-2-yloxypropanenitrile InChIKey BMSYXLRQGIFLFO-UHFFFAOYSA-N INCHI 1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3 Isómeros SMILES CC(C)OCCC#N Peso molecular 113.161 Reaxy-Rn 1739825 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739825&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 Organic nitrogen compounds Clase Organonitrogen compounds Subclass Organic cyanides Intermediate Tree Nodes Not available Direct Parent Nitriles Alternative Parents Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 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 Índice de refracción 1.4089 (589.3 nm 20 Punto de inflamación (°F) 75.1±13.7 ℃ Punto de inflamación (°C) 75.1±13.7 ℃ Punto de ebullición (°C) 179℃ Peso molecular 113.160 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 113.084 Da Monoisotopic Mass 113.084 Da Topological Polar Surface Area 33.000 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 89.900 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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