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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Nitro-4-(Trifluoromethyl)Phenylacetonitrile - ≥97% , CAS No.13544-06-4
Synonyms
CL9413 | 2-[2-nitro-4-(trifluoromethyl)phenyl]acetonitrile | DTXSID30379695 | DS-16155 | MFCD00045621 | 2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile | FT-0613164 | SCHEMBL1265288 | A806932 | EN300-1937977 | 2-Nitro-4-(trifluoromethyl)phenylacetonitri
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
CL9413 | 2-[2-nitro-4-(trifluoromethyl)phenyl]acetonitrile | DTXSID30379695 | DS-16155 | MFCD00045621 | 2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile | FT-0613164 | SCHEMBL1265288 | A806932 | EN300-1937977 | 2-Nitro-4-(trifluoromethyl)phenylacetonitri
Specifications & Purity
≥97%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC#N IUPAC Name 2-[2-nitro-4-(trifluoromethyl)phenyl]acetonitrile InChIKey CSRSFUABKGQLSY-UHFFFAOYSA-N INCHI 1S/C9H5F3N2O2/c10-9(11,12)7-2-1-6(3-4-13)8(5-7)14(15)16/h1-2,5H,3H2 Isomeric SMILES C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC#N Molecular Weight 230.14 Reaxy-Rn 2588629 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2588629&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 Class Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Nitrobenzenes Benzyl cyanides Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Benzyl-cyanide - Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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 Boil Point(°C) 134-138°/0.5mm Melt Point(°C) 38-42℃ Molecular Weight 230.140 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 230.03 Da Monoisotopic Mass 230.03 Da Topological Polar Surface Area 69.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 315.000 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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