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 Dimethyl 2-(2-nitro-4-trifluoromethylphenyl)malonate - ≥98% , CAS No.290825-52-4
Synonyms
AKOS005069795 | Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate | 1,3-dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate | Dimethyl[2-nitro-4-(trifluoromethyl)phenyl]malonate | Dimethyl2-(2-nitro-4-(trifluoromethyl)phenyl)malonate | Dimethyl
🧪
Why this grade ≥98% 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
AKOS005069795 | Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate | 1, 3-dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate | Dimethyl[2-nitro-4-(trifluoromethyl)phenyl]malonate | Dimethyl2-(2-nitro-4-(trifluoromethyl)phenyl)malonate | Dimethyl
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles COC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC IUPAC Name dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate InChIKey MBAQGFLNQDHQCE-UHFFFAOYSA-N INCHI 1S/C12H10F3NO6/c1-21-10(17)9(11(18)22-2)7-4-3-6(12(13,14)15)5-8(7)16(19)20/h3-5,9H,1-2H3 Isomeric SMILES COC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC Molecular Weight 321.2 Reaxy-Rn 11322033 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322033&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 Lipids and lipid-like molecules Class Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Aromatic monoterpenoids Alternative Parents Trifluoromethylbenzenes Monocyclic monoterpenoids Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents P-cymene - Aromatic monoterpenoid - Trifluoromethylbenzene - Monocyclic monoterpenoid - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. 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 321.210 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 5 Exact Mass 321.046 Da Monoisotopic Mass 321.046 Da Topological Polar Surface Area 98.400 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 431.000 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.
