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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(Trifluoromethyl)benzonitrile - ≥98%(GC) , CAS No.368-77-4
Synonyms
alpha,alpha,alpha-Trifluoro-m-tolunitrile | PS-8692 | UNII-Y7ZD7DK3AY | AKOS000119995 | m-Trifluoromethylbenzonitrile | 3-(CF3)-C6H4-CN | M-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO- | NSC88314 | NSC-88314 | 3-(Trifluoromethyl)benzonitrile | NSC 8831
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Why this grade ≥98%(GC) 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
alpha, alpha, alpha-Trifluoro-m-tolunitrile | PS-8692 | UNII-Y7ZD7DK3AY | AKOS000119995 | m-Trifluoromethylbenzonitrile | 3-(CF3)-C6H4-CN | M-TOLUNITRILE, .ALPHA., .ALPHA., .ALPHA.-TRIFLUORO- | NSC88314 | NSC-88314 | 3-(Trifluoromethyl)benzonitrile | NSC 8831
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488184011 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184011 Sonrisas canónicas C1=CC(=CC(=C1)C(F)(F)F)C#N IUPAC Name 3-(trifluoromethyl)benzonitrile InChIKey OGOBINRVCUWLGN-UHFFFAOYSA-N INCHI 1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H Isómeros SMILES C1=CC(=CC(=C1)C(F)(F)F)C#N WGK Alemania 3 PubChem CID 67783 Peso molecular 171.12 Beilstein 1868100 Reaxy-Rn 1868102
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 Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Benzonitriles Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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 (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.46 Punto de inflamación (°F) 161.6 °F Punto de inflamación (°C) 72°C(lit.) Punto de ebullición (°C) 189 °C Punto de fusión (°C) 17 °C Peso molecular 171.120 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 171.03 Da Monoisotopic Mass 171.03 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 200.000 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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