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

CAS: 569-42-6 Cat. No.: D139008 Formula: C₁₀H₈O₂ Peso molecolare: 160.17 Beilstein Registry Number: 2044947 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504754289
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754289
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC2=C(C(=C1)O)C(=CC=C2)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

T-24 (2342 Activities)

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HFL1 (586 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 137-143℃
• Peso molecolare: 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