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· · COA & SDS available for every product · Same-day shipping on in-stock items 7-(Dimethylamino)-4-(trifluoromethyl)coumarin - ≥97%(GC)(T) , CAS No.53518-14-2
Synonyms
7-(Dimethylamino)-4-(trifluoromethyl)coumarin | coumarin-152 | COUMARIN 485 | Q27122742 | NSC2652 | 7-dimethylamino-4-trifluoromethylcoumarin | C-152 | isobutylmethyl ketone | D3356 | 7-(DIMETHYLAMINO)-4-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-2-ONE | SCHEMBL19
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Why this grade ≥97%(GC)(T) 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
7-(Dimethylamino)-4-(trifluoromethyl)coumarin | coumarin-152 | COUMARIN 485 | Q27122742 | NSC2652 | 7-dimethylamino-4-trifluoromethylcoumarin | C-152 | isobutylmethyl ketone | D3356 | 7-(DIMETHYLAMINO)-4-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-2-ONE | SCHEMBL19
Specifications & Purity
≥97%(GC)(T)
Names and Identifiers Pubchem Sid 504756576 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756576 Canonical Smiles CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F IUPAC Name 7-(dimethylamino)-4-(trifluoromethyl)chromen-2-one InChIKey KDTAEYOYAZPLIC-UHFFFAOYSA-N INCHI 1S/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3 Isomeric SMILES CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F Molecular Weight 257.21 Reaxy-Rn 4319218 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4319218&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 Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Dialkylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Oxacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). External Descriptors 7-aminocoumarins 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 147 °C Molecular Weight 257.209 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 257.066 Da Monoisotopic Mass 257.066 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 376.000 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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