Description

Phenyl 1,4-dihydroxynaphthalene-2-carboxylate (CAS No. 54978-55-1) is a high-purity organic compound with the molecular formula C₁₇H₁₂O₄. This naphthalene derivative features a phenyl ester group and two hydroxyl substituents, making it a versatile intermediate for synthetic chemistry and material science applications. Its well-defined structure and reactivity are ideal for researchers developing novel pharmaceuticals, dyes, or functional materials. Available in various quantities, this compound is rigorously tested for quality, ensuring consistency in experimental results. Store in a cool, dry place away from light to maintain stability.

Properties

• CAS Number: 54978-55-1
• Complexity: 364
• IUPAC Name: phenyl 1,4-dihydroxynaphthalene-2-carboxylate
• InChI: 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
• InChI Key: XDUXGEPGVNWEBQ-UHFFFAOYSA-N
• Exact Mass: 280.07355886
• Molecular Formula: C17H12O4
• Molecular Weight: 280.27
• SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O
• Topological: 66.8
• Monoisotopic Mass: 280.07355886
• Synonyms: 54978-55-1, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester, EINECS 259-419-4, DTXSID1074626, DTXCID4041814, Phenyl 1,4-dihydroxy-2-naphthoate, phenyl 1,4-dihydroxynaphthalene-2-carboxylate, Phenyl1,4-dihydroxy-2-naphthoate, 1,4-Dihydroxy-2-naphthoic Acid Phenyl Ester, MFCD00075770, Dihydroxynaphtoicacidphenylester, 1,4-Dihydroxy-2-naphtoic acid phenyl ester, Oprea1_001204, SCHEMBL590944, XDUXGEPGVNWEBQ-UHFFFAOYSA-, STK379078, AKOS003602329, Phenyl 1,4-dihydroxy-2-naphthoate #, FP71244, AC-16676, AS-61402, SY053031, 2-phenoxycarbonyl-1,4-dihydroxynaphthalene, DB-005470, CS-0156095, D2297, NS00033217, ST50841608, D90036, 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

Application

Phenyl 1,4-dihydroxynaphthalene-2-carboxylate is used as a key intermediate in organic synthesis, particularly in the development of dyes, pigments, and photoactive compounds. Its hydroxyl and ester functionalities make it suitable for coupling reactions or as a precursor for more complex aromatic systems. Researchers also explore its potential in polymer chemistry and as a ligand in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P273, P391, and P501

Hazard Classes and Categories

• Aquatic Acute 1 (100%)

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