1,4-Dihydroxynaphthalene - technical grade, ≥90%(HPLC) , CAS No.571-60-8

CAS: 571-60-8 Cat. No.: D476960 Peso molecular: 160.17 Beilstein Registry Number: 6979 Número EC: 209-336-4

GRADE & PURITY Technical grade, ≥90%(HPLC)

Synonyms

1,4-Naphthohydroquinone | EINECS 209-336-4 | NAPHTHALENEDIOL, 1,4- | 1,4-Dihydroxynaphthalene, analytical standard | A831334 | alpha-Naphthoquinhydrone | CCRIS-7897 | SCHEMBL29638 | .ALPHA.-NAPHTHOQUINHYDRONE | 1,4-Naphththalenediol | AS-10608 | 4-06-00-0

Storage

Room temperature

Specifications

Sinónimos

1, 4-Naphthohydroquinone | EINECS 209-336-4 | NAPHTHALENEDIOL, 1, 4- | 1, 4-Dihydroxynaphthalene, analytical standard | A831334 | alpha-Naphthoquinhydrone | CCRIS-7897 | SCHEMBL29638 | .ALPHA.-NAPHTHOQUINHYDRONE | 1, 4-Naphththalenediol | AS-10608 | 4-06-00-0

Especificaciones y pureza

technical grade, ≥90%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Technical grade

Pureza

≥90%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504752096
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752096
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=CC=C2O)O
• IUPAC Name: naphthalene-1,4-diol
• InChIKey: PCILLCXFKWDRMK-UHFFFAOYSA-N
• INCHI: 1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CC=C2O)O
• RTECS: QJ4730000
• Peso molecular: 160.17
• Beilstein: 6979
• Reaxy-Rn: 1307689
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307689&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• External Descriptors: naphthalenediol

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

T-24 (2342 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HFL1 (586 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

Discover Target: Tdo2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 191-192 °C
• Peso molecular: 160.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052 Da
• Monoisotopic Mass: 160.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• 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

Referencias

1. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu.  (2025)  Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources.  TALANTA,      [PMID:40157196] [10.1016/j.talanta.2025.127975]