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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Fluorobenzoylacetonitrile - ≥97% , CAS No.4640-67-9
Synonyms
SCHEMBL133680 | .ALPHA.-CYANO-4-FLUOROACETOPHENONE | F0987 | Benzenepropanenitrile, 4-fluoro-beta-oxo- | Z104520972 | (p-fluorobenzoyl)acetonitrile | CK2043 | MFCD00662062 | Q27281825 | 4-Fluorobenzoylacetonitrile | 4-fluoro-benzoylacetonitrile | AM1017 |
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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
SCHEMBL133680 | .ALPHA.-CYANO-4-FLUOROACETOPHENONE | F0987 | Benzenepropanenitrile, 4-fluoro-beta-oxo- | Z104520972 | (p-fluorobenzoyl)acetonitrile | CK2043 | MFCD00662062 | Q27281825 | 4-Fluorobenzoylacetonitrile | 4-fluoro-benzoylacetonitrile | AM1017 |
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488193926 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488193926 Canonical Smiles C1=CC(=CC=C1C(=O)CC#N)F IUPAC Name 3-(4-fluorophenyl)-3-oxopropanenitrile InChIKey LOJBBLDAJBJVBZ-UHFFFAOYSA-N INCHI 1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2 Isomeric SMILES C1=CC(=CC=C1C(=O)CC#N)F WGK Germany 3 Molecular Weight 163.15 Reaxy-Rn 2090050 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090050&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 Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound Description 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Dimethylformamide Melt Point(°C) 84-88°C Molecular Weight 163.150 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 163.043 Da Monoisotopic Mass 163.043 Da Topological Polar Surface Area 40.900 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 210.000 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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