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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate - ≥97% , CAS No.866040-66-6
Synonyms
Ethyl5-(3-nitrophenyl)isoxazole-3-carboxylate | MFCD03848619 | SMR000336551 | Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate | 5W-0869 | AKOS005096680 | Ethyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate | FT-0732989 | DTXSID80402301 | SY015193 | ethyl 5-(
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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
Ethyl5-(3-nitrophenyl)isoxazole-3-carboxylate | MFCD03848619 | SMR000336551 | Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate | 5W-0869 | AKOS005096680 | Ethyl 5-(3-nitrophenyl)-1, 2-oxazole-3-carboxylate | FT-0732989 | DTXSID80402301 | SY015193 | ethyl 5-(
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 CCOC(=O)C1=NOC(=C1)C2=CC(=CC=C2)[N+](=O)[O-] IUPAC Name ethyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate InChIKey SSOVVOHZUNJEAK-UHFFFAOYSA-N INCHI 1S/C12H10N2O5/c1-2-18-12(15)10-7-11(19-13-10)8-4-3-5-9(6-8)14(16)17/h3-7H,2H2,1H3 Isomeric SMILES CCOC(=O)C1=NOC(=C1)C2=CC(=CC=C2)[N+](=O)[O-] Molecular Weight 262.21 Reaxy-Rn 22656045 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22656045&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 Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Heteroaromatic compounds Isoxazoles Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitrobenzene - Nitroaromatic compound - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 454.8±40.0°C at 760 mmHg Molecular Weight 262.220 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 262.059 Da Monoisotopic Mass 262.059 Da Topological Polar Surface Area 98.200 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 344.000 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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