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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items éster dimetílico del ácido 5-nitroisoftálico - ≥98% , CAS No.13290-96-5
Synonyms
AC7851 | EINECS 236-307-3 | MFCD00008429 | Dimethyl 5-nitroisophthalate, 98% | 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester | EN300-18049855 | UNII-AM7XSW83FE | 5-Nitroisophthalic Acid Dimethyl Ester | AKOS005441643 | AM7XSW83FE | BRN 2140916 |
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Why this grade ≥98% 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.
Descripción general Suele utilizarse como reactivo de partida en la síntesis de 5-nitroisoftaldihidrazida y 5-nitro-1,3-bis(etilendiamina).
Specifications Sinónimos
AC7851 | EINECS 236-307-3 | MFCD00008429 | Dimethyl 5-nitroisophthalate, 98% | 1, 3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester | EN300-18049855 | UNII-AM7XSW83FE | 5-Nitroisophthalic Acid Dimethyl Ester | AKOS005441643 | AM7XSW83FE | BRN 2140916 |
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488186173 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186173 Sonrisas canónicas COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC IUPAC Name dimethyl 5-nitrobenzene-1,3-dicarboxylate InChIKey GGTSJKFPGKFLCZ-UHFFFAOYSA-N INCHI 1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3 Isómeros SMILES COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC WGK Alemania 2 RTECS CZ4340000 Peso molecular 239.18 Beilstein 2140916 Reaxy-Rn 2140916 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2140916&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 Phthalic acid and derivatives - Phthalate esters Direct Parent m-Phthalate esters Alternative Parents Nitrobenzoic acids and derivatives M-phthalic acid and derivatives Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Meta-phthalic acid ester - Meta_phthalic_acid - Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton. 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 toluene Punto de fusión (°C) 123-125°C Peso molecular 239.180 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 239.043 Da Monoisotopic Mass 239.043 Da Topological Polar Surface Area 98.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 299.000 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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