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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-Methoxy-2-nitrobenzoate - ≥98%(GC) , CAS No.5307-17-5
Synonyms
BIM-0008596.P001 | CCG-235229 | METHYL3-METHOXY-2-NITROBENZOATE | AKOS015998598 | HMS547I12 | CB11470 | MFCD00051968 | SCHEMBL2521491 | SY041189 | Methyl 2-Nitro-m-anisate | Methyl 3-methoxy-2-nitrobenzoate | methyl 3-methoxy-2-nitro-benzoate | Benzoic ac
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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
BIM-0008596.P001 | CCG-235229 | METHYL3-METHOXY-2-NITROBENZOATE | AKOS015998598 | HMS547I12 | CB11470 | MFCD00051968 | SCHEMBL2521491 | SY041189 | Methyl 2-Nitro-m-anisate | Methyl 3-methoxy-2-nitrobenzoate | methyl 3-methoxy-2-nitro-benzoate | Benzoic ac
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488185687 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185687 Sonrisas canónicas COC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC IUPAC Name methyl 3-methoxy-2-nitrobenzoate InChIKey FDQQRLPHAAICCR-UHFFFAOYSA-N INCHI 1S/C9H9NO5/c1-14-7-5-3-4-6(9(11)15-2)8(7)10(12)13/h3-5H,1-2H3 Isómeros SMILES COC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC Peso molecular 211.17 Reaxy-Rn 2697098 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697098&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 M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - M-methoxybenzoic acid or derivatives - Nitrophenyl ether - Benzoate ester - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen 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 Punto de fusión (°C) 142 °C Peso molecular 211.170 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 211.048 Da Monoisotopic Mass 211.048 Da Topological Polar Surface Area 81.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 249.000 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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