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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Fluoro-4-(trifluoromethyl)benzonitrile - ≥98% , CAS No.146070-34-0
Synonyms
PS-8422 | EN300-316325 | InChI=1/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H | JLTYVTXTSOYXMX-UHFFFAOYSA- | 2-fluoro-4-trifluoromethylbenzonitrile | 2-fluoro-4-trifluoromethyl-benzonitrile | 2-fluoro4-trifluoromethylbenzonitrile | 2-Fluoro-4-(trifluoro
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Why this grade ≥98% 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
PS-8422 | EN300-316325 | InChI=1/C8H3F4N/c9-7-3-6(8(10, 11)12)2-1-5(7)4-13/h1-3H | JLTYVTXTSOYXMX-UHFFFAOYSA- | 2-fluoro-4-trifluoromethylbenzonitrile | 2-fluoro-4-trifluoromethyl-benzonitrile | 2-fluoro4-trifluoromethylbenzonitrile | 2-Fluoro-4-(trifluoro
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504759015 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759015 Sonrisas canónicas C1=CC(=C(C=C1C(F)(F)F)F)C#N IUPAC Name 2-fluoro-4-(trifluoromethyl)benzonitrile InChIKey JLTYVTXTSOYXMX-UHFFFAOYSA-N INCHI 1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H Isómeros SMILES C1=CC(=C(C=C1C(F)(F)F)F)C#N WGK Alemania 3 Peso molecular 189.11 Beilstein 8313354 Reaxy-Rn 8313354 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8313354&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 Clase Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Benzonitriles Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.446 Punto de inflamación (°F) 168.8 °F Punto de inflamación (°C) 75°(167°F) Punto de ebullición (°C) 178-180°C Peso molecular 189.110 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 0 Exact Mass 189.02 Da Monoisotopic Mass 189.02 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 226.000 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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