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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Acetilfenil isocianato - ≥97% , CAS No.49647-20-3
Synonyms
1-(4-Isocianatofenil)etanona | 1-(4-isocianato-fenil)-etanona | DTXSID00197949 | Isocianato de 4-acetilfenilo, 97% | BBL037661 | 1-(4-Isocianatofenil)etanona # | EN300-53737 | GEO-00039 | Isocianato de 4-acetilfenilo | W-200392 | A827781 | SCHEMBL219763 |
Storage
Conservar a 2-8°C,Protegido de la luz,Cargado con argón
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Conservar a 2-8°C,Protegido de la luz,Cargado con argón Ships Hielo húmedo 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
1-(4-Isocianatofenil)etanona | 1-(4-isocianato-fenil)-etanona | DTXSID00197949 | Isocianato de 4-acetilfenilo, 97% | BBL037661 | 1-(4-Isocianatofenil)etanona # | EN300-53737 | GEO-00039 | Isocianato de 4-acetilfenilo | W-200392 | A827781 | SCHEMBL219763 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C, Protegido de la luz, Cargado con argón
Nombres e identificadores Pubchem Sid 504756437 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756437 Sonrisas canónicas CC(=O)C1=CC=C(C=C1)N=C=O IUPAC Name 1-(4-isocyanatophenyl)ethanone InChIKey MOZSVHZOUDIZMF-UHFFFAOYSA-N INCHI 1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3 Isómeros SMILES CC(=O)C1=CC=C(C=C1)N=C=O WGK Alemania 3 Peso molecular 161.16 Reaxy-Rn 2803022 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803022&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 oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Acetophenones Benzoyl derivatives Aryl alkyl ketones Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture Sensitive,Heat Sensitive Punto de inflamación (°F) 235.4 °F Punto de inflamación (°C) 113 °C Punto de ebullición (°C) 139 °C/14 mmHg Punto de fusión (°C) 37 °C Peso molecular 161.160 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 161.048 Da Monoisotopic Mass 161.048 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 211.000 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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