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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-[4-Fluoro-3-(trifluoromethyl)phenyl]benzonitrile - ≥97% , CAS No.1032506-84-5
Synonyms
DTXSID00669515 | EN300-339431 | 3-[4-Fluoro-3-(trifluoromethyl)phenyl]benzonitrile | 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile | 4'-Fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile | MFCD08457045 | BS-26204 | 1032506-84-5 | HX
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Why this grade ≥97% 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 Synonyms
DTXSID00669515 | EN300-339431 | 3-[4-Fluoro-3-(trifluoromethyl)phenyl]benzonitrile | 4'-Fluoro-3'-(trifluoromethyl)-[1, 1'-biphenyl]-3-carbonitrile | 4'-Fluoro-3'-(trifluoromethyl)[1, 1'-biphenyl]-3-carbonitrile | MFCD08457045 | BS-26204 | 1032506-84-5 | HX
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)C2=CC(=C(C=C2)F)C(F)(F)F)C#N IUPAC Name 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzonitrile InChIKey HXZJSKNJTFKZBT-UHFFFAOYSA-N INCHI 1S/C14H7F4N/c15-13-5-4-11(7-12(13)14(16,17)18)10-3-1-2-9(6-10)8-19/h1-7H Isomeric SMILES C1=CC(=CC(=C1)C2=CC(=C(C=C2)F)C(F)(F)F)C#N PubChem CID 45156535 Molecular Weight 265.2
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 Class Benzene and substituted derivatives Subclass Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenylcarbonitriles Alternative Parents Trifluoromethylbenzenes Benzonitriles Fluorobenzenes Aryl fluorides Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Biphenylcarbonitrile - Trifluoromethylbenzene - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 265.200 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 265.051 Da Monoisotopic Mass 265.051 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 356.000 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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