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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl-4-methylamino-3-nitrobenzoate - ≥95% , CAS No.71254-71-2
Synonyms
ETHYL4-METHYLAMINO-3-NITROBENZOATE | EN300-1273141 | Ethyl 4-(methylamino)-3-nitrobenzoate | DTXSID70500305 | DS-17438 | MFCD09746194 | SCHEMBL1965205 | FT-0654181 | Benzoic acid, 4-(methylamino)-3-nitro-, ethyl ester | A837128 | C76267 | SB79866 | AC-904
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Why this grade ≥95% 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 Sinónimos
ETHYL4-METHYLAMINO-3-NITROBENZOATE | EN300-1273141 | Ethyl 4-(methylamino)-3-nitrobenzoate | DTXSID70500305 | DS-17438 | MFCD09746194 | SCHEMBL1965205 | FT-0654181 | Benzoic acid, 4-(methylamino)-3-nitro-, ethyl ester | A837128 | C76267 | SB79866 | AC-904
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504767134 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504767134 Sonrisas canónicas CCOC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-] IUPAC Name ethyl 4-(methylamino)-3-nitrobenzoate InChIKey VBBWOFYWXQZACX-UHFFFAOYSA-N INCHI 1S/C10H12N2O4/c1-3-16-10(13)7-4-5-8(11-2)9(6-7)12(14)15/h4-6,11H,3H2,1-2H3 Isómeros SMILES CCOC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-] Peso molecular 224.21 Reaxy-Rn 2130523 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2130523&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 Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Nitrobenzoic acids and derivatives Alternative Parents Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 224.210 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 224.08 Da Monoisotopic Mass 224.08 Da Topological Polar Surface Area 84.200 Ų Heavy Atom Count 16 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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