The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone - ≥97% , CAS No.39174-87-3
Synonyms
39174-87-3 | 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone | 1-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)ETHANONE | 1-[3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE | 3'-NITRO-5'-(TRIFLUOROMETHYL)ACETOPHENONE | 1-(3-Nitro-5-(trifluoromethyl)phenyl)ethan-1-one |
🧪
Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
39174-87-3 | 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone | 1-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)ETHANONE | 1-[3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE | 3'-NITRO-5'-(TRIFLUOROMETHYL)ACETOPHENONE | 1-(3-Nitro-5-(trifluoromethyl)phenyl)ethan-1-one |
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F IUPAC Name 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone InChIKey LJCYPWAXWYGFOO-UHFFFAOYSA-N INCHI 1S/C9H6F3NO3/c1-5(14)6-2-7(9(10,11)12)4-8(3-6)13(15)16/h2-4H,1H3 Isomeric SMILES CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F PubChem CID 53402775 Molecular Weight 233.14
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 Trifluoromethylbenzenes Acetophenones Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Alkyl halide - Organic salt - Organic cation - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 233.140 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 233.03 Da Monoisotopic Mass 233.03 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 297.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
![1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone - ≥97% , CAS No.39174-87-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)