1,8-Dihydroxynaphthalene - ≥97% , CAS No.569-42-6

CAS: 569-42-6 Cat. No.: D139008 Fórmula: C₁₀H₈O₂ Peso molecular: 160.17 Beilstein Registry Number: 2044947 Número EC: 209-316-5

GRADE & PURITY ≥97%

Synonyms

SCHEMBL70219 | FS-3227 | 1,8-Dihydroxynaphthalene | UNII-JEW2VB8R33 | 8-hydroxy-1-naphthol | SY027091 | AB90058 | CHEBI:167604 | YSSJ3004 | 1-Hydroxy-8-naphthol | Z415933894 | 1,8-Naphthalindiol | MFCD00042701 | AM20050054 | DTXSID80205435 | 1,8-Naphthale

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application：

1,8-Dihydroxynaphthalene (DHN) can be used as:
An intermediate in the preparation of benzo analogs of spiromamakone A.
A starting material to synthesize naphthopyran derivatives.
An intermediate in the total synthesis of palmarumycin CP17 analogs.

Specifications

Sinónimos

SCHEMBL70219 | FS-3227 | 1,8-Dihydroxynaphthalene | UNII-JEW2VB8R33 | 8-hydroxy-1-naphthol | SY027091 | AB90058 | CHEBI:167604 | YSSJ3004 | 1-Hydroxy-8-naphthol | Z415933894 | 1,8-Naphthalindiol | MFCD00042701 | AM20050054 | DTXSID80205435 | 1,8-Naphthale

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504754289

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754289

Sonrisas canónicas

C1=CC2=C(C(=C1)O)C(=CC=C2)O

IUPAC Name

naphthalene-1,8-diol

InChIKey

OENHRRVNRZBNNS-UHFFFAOYSA-N

INCHI

1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H

Isómeros SMILES

C1=CC2=C(C(=C1)O)C(=CC=C2)O

WGK Alemania

3

Peso molecular

160.17

Beilstein

2044947

Reaxy-Rn

2044947

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044947&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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 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: 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.

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

HFL1 (586 Activities)

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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): 137-143℃
• Peso molecular: 160.170 g/mol
• XLogP3: 2.800
• 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: 142.000
• 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