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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-Methyl-2-nitrobenzoate - ≥98%(GC) , CAS No.5471-82-9
Synonyms
NSC 28461 | 67XCE2UHV8 | Erio Violet 6BN | 2-Nitro-3-methylbenzoic acid, methyl ester | Methyl 3-methyl-2-nitrobenzoate | AC-5779 | NJHDBIXFFZVJGZ-UHFFFAOYSA-N | AM20060986 | 2-methoxypropionicacid | SCHEMBL1032670 | J-522197 | Benzoic acid, 3-methyl-2-ni
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Why this grade ≥98%(GC) 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
NSC 28461 | 67XCE2UHV8 | Erio Violet 6BN | 2-Nitro-3-methylbenzoic acid, methyl ester | Methyl 3-methyl-2-nitrobenzoate | AC-5779 | NJHDBIXFFZVJGZ-UHFFFAOYSA-N | AM20060986 | 2-methoxypropionicacid | SCHEMBL1032670 | J-522197 | Benzoic acid, 3-methyl-2-ni
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504755392 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755392 Sonrisas canónicas CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-] IUPAC Name methyl 3-methyl-2-nitrobenzoate InChIKey NJHDBIXFFZVJGZ-UHFFFAOYSA-N INCHI 1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3 Isómeros SMILES CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-] Peso molecular 195.17 Reaxy-Rn 2581832 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2581832&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 Benzoic acid esters Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - 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 Solubilidad Soluble in Methanol Punto de fusión (°C) 74 °C Peso molecular 195.170 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 195.053 Da Monoisotopic Mass 195.053 Da Topological Polar Surface Area 72.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 235.000 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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