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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Hydroxy-3-nitrobenzoic acid methyl ester - ≥98% , CAS No.99-42-3
Synonyms
MFCD00014695 | Z57479406 | W-100037 | Benzoic acid, 4-hydroxy-3-nitro-, methyl ester | SCHEMBL531728 | 4-Hydroxy-3-nitrobenzoic acid methyl ester | 4-hydroxy-3-nitro-benzoic acid methyl ester | SCHEMBL16254547 | STK149384 | Methyl 4-hydroxy-3-nitrobenzoat
Storage
Room temperature,Argon charged
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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,Argon charged 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
MFCD00014695 | Z57479406 | W-100037 | Benzoic acid, 4-hydroxy-3-nitro-, methyl ester | SCHEMBL531728 | 4-Hydroxy-3-nitrobenzoic acid methyl ester | 4-hydroxy-3-nitro-benzoic acid methyl ester | SCHEMBL16254547 | STK149384 | Methyl 4-hydroxy-3-nitrobenzoat
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Nombres e identificadores Pubchem Sid 528760958 Sonrisas canónicas COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] IUPAC Name methyl 4-hydroxy-3-nitrobenzoate InChIKey GNCWCTBHZCBXGL-UHFFFAOYSA-N INCHI 1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3 Isómeros SMILES COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] Peso molecular 197.14 Reaxy-Rn 2115197 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115197&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 p-Hydroxybenzoic acid alkyl esters Nitrophenols Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 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 - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Nitrophenol - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen 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 Sensibilidad Air sensitive Punto de fusión (°C) 75 °C Peso molecular 197.140 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 197.032 Da Monoisotopic Mass 197.032 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 236.000 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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