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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoromethyl)phenylacetonitrile - ≥98% , CAS No.2338-76-3
Synonyms
3-(Trifluoromethyl)phenylacetonitrile, 97% | 3-trifluoromethylphenyl acetonitrile | MFCD00211068 | Acetonitrile, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)- | [3-(Trifluoromethyl)phenyl]acetonitrile | 3-(Trifluoromethyl)benzeneacetonitrile | BLAISJRRTZAV
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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 Synonyms
3-(Trifluoromethyl)phenylacetonitrile, 97% | 3-trifluoromethylphenyl acetonitrile | MFCD00211068 | Acetonitrile, (.alpha., .alpha., .alpha.-trifluoro-m-tolyl)- | [3-(Trifluoromethyl)phenyl]acetonitrile | 3-(Trifluoromethyl)benzeneacetonitrile | BLAISJRRTZAV
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504754935 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754935 Canonical Smiles C1=CC(=CC(=C1)C(F)(F)F)CC#N IUPAC Name 2-[3-(trifluoromethyl)phenyl]acetonitrile InChIKey JOIYKSLWXLFGGR-UHFFFAOYSA-N INCHI 1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2 Isomeric SMILES C1=CC(=CC(=C1)C(F)(F)F)CC#N WGK Germany 3 RTECS CY1820000 PubChem CID 75360 Molecular Weight 185.15 Reaxy-Rn 909640
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 Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Benzyl cyanides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Benzyl-cyanide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.46 Flash Point(°F) 120.2 °F Flash Point(°C) 49 °C Boil Point(°C) 93°C/4mmHg Molecular Weight 185.150 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 185.045 Da Monoisotopic Mass 185.045 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 213.000 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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