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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Phenyl 1,4-Dihydroxy-2-naphthoate - ≥98%(HPLC) , CAS No.54978-55-1
Synonyms
1,4-Dihydroxy-2-naphthoic Acid Phenyl Ester | 1,4-dihydroxy-2-phenylnaphthoate | J-503996 | InChI=1/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H | SY053031 | MFCD00075770 | 1,4-Dihydroxy-2-naphtoic acid phenyl este
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Why this grade ≥98%(HPLC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
1, 4-Dihydroxy-2-naphthoic Acid Phenyl Ester | 1, 4-dihydroxy-2-phenylnaphthoate | J-503996 | InChI=1/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10, 18-19H | SY053031 | MFCD00075770 | 1, 4-Dihydroxy-2-naphtoic acid phenyl este
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O IUPAC Name phenyl 1,4-dihydroxynaphthalene-2-carboxylate InChIKey XDUXGEPGVNWEBQ-UHFFFAOYSA-N INCHI 1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H Isómeros SMILES C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O PubChem CID 604249 Peso molecular 280.28 Reaxy-Rn 20236964
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 Naphthalenes Subclass Naphthalenecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Naphthalenecarboxylic acids Alternative Parents Naphthols and derivatives Salicylic acid and derivatives Phenol esters Phenoxy compounds Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents 2-naphthalenecarboxylic acid - 1-naphthol - Dihydroxybenzoic acid - Salicylic acid or derivatives - Phenol ester - Phenoxy compound - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound Descripción This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 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) 153-157℃ Peso molecular 280.270 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 280.074 Da Monoisotopic Mass 280.074 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 364.000 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
Citations of This Product Referencias 1. Wen-Chao Yu, Yan-Lei Yu, Bing-Cheng Dong, Ze-Yu Wang, Au-Qi Du, Song-Wei Li, Buddha Bahadur Basnet, Xiao-Ze Bao, Xuan-Rong Sun, Xing-Nuo Li, Qi Xuan, Qihao Wu, Hong Wang, Bin Wei. (2025) Targeted discovery of aromatic glycosides with dual detoxification effects via a highly customized molecular networking platform. Cell Chemical Biology, [PMID:41475338 ] [10.1016/j.chembiol.2025.12.001 ]
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