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224,000+ produtos de pesquisa · Triple ISO certified · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Methyl 2-methoxy-4-nitrobenzoate - ≥95% , CAS No.39106-79-1
Disponível para encomenda
Synonyms
AKOS005147346 | BS-49789 | 2-methoxy-4-nitro-benzoic acid methyl ester | AB10293 | SCHEMBL656472 | DTXSID60445039 | Methyl 2-methoxy-4-nitrobenzoate | 10.14272/TVOXZWILIMTOIT-UHFFFAOYSA-N | Methyl2-methoxy-4-nitrobenzoate | TVOXZWILIMTOIT-UHFFFAOYSA-N | d
Storage
Room temperature,Desiccated
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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,Desiccated 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
AKOS005147346 | BS-49789 | 2-methoxy-4-nitro-benzoic acid methyl ester | AB10293 | SCHEMBL656472 | DTXSID60445039 | Methyl 2-methoxy-4-nitrobenzoate | 10.14272/TVOXZWILIMTOIT-UHFFFAOYSA-N | Methyl2-methoxy-4-nitrobenzoate | TVOXZWILIMTOIT-UHFFFAOYSA-N | d
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Room temperature,Desiccated
Nomes e identificadores Sorrisos canónicos
COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name
methyl 2-methoxy-4-nitrobenzoate
InChIKey
TVOXZWILIMTOIT-UHFFFAOYSA-N
INCHI
1S/C9H9NO5/c1-14-8-5-6(10(12)13)3-4-7(8)9(11)15-2/h3-5H,1-2H3
SMILES isoméricas
COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3299001&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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Nitrobenzoic acids and derivatives Alternative Parents O-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Nitrophenyl ether - O-methoxybenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound Descrição 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.
Estrutura 3D Certificados(CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas 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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