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 CE: 209-316-5

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504754289

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

T-24 (2342 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°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