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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoroacetyl)indole - ≥98% , CAS No.14618-45-2
Synonyms
2,2,2-Trifluoro-1-(1H-indol-3-yl)-1-ethanone | MLS001029784 | 1-methyl- 5-(p-toluoyl)pyrrole-2-acetic acid | 3-(Trifluoroacetyl)indole | 3-Indolyl trifluoromethyl ketone | NSC35110 | SCHEMBL2040397 | SMR000427162 | RXOQZXMDPRIJPX-UHFFFAOYSA-N | AB00073550
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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 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
2, 2, 2-Trifluoro-1-(1H-indol-3-yl)-1-ethanone | MLS001029784 | 1-methyl- 5-(p-toluoyl)pyrrole-2-acetic acid | 3-(Trifluoroacetyl)indole | 3-Indolyl trifluoromethyl ketone | NSC35110 | SCHEMBL2040397 | SMR000427162 | RXOQZXMDPRIJPX-UHFFFAOYSA-N | AB00073550
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488190498 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190498 Canonical Smiles C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F IUPAC Name 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone InChIKey LCMDCXWSHDFQKP-UHFFFAOYSA-N INCHI 1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F PubChem CID 589126 Molecular Weight 213.16 Reaxy-Rn 181739
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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent Indoles Alternative Parents Aryl alkyl ketones Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Benzenoid - Alpha-haloketone - Pyrrole - Vinylogous amide - Heteroaromatic compound - Ketone - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 212 °C Molecular Weight 213.160 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 213.04 Da Monoisotopic Mass 213.04 Da Topological Polar Surface Area 32.900 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 264.000 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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