1-Naphthol - analytical standard , CAS No.90-15-3

CAS: 90-15-3 Cat. No.: N103798 Formula: C₁₀H₈O Peso molecolare: 144.17 Beilstein Registry Number: 1817321 Numero EC: 201-969-4

GRADE & PURITY Analytical standard

Synonyms

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinonimi

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

508807463

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807463

Sorrisi canonici

C1=CC=C2C(=C1)C=CC=C2O

IUPAC Name

naphthalen-1-ol

InChIKey

KJCVRFUGPWSIIH-UHFFFAOYSA-N

INCHI

1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

Isomeri SMILES

C1=CC=C2C(=C1)C=CC=C2O

WGK Germania

1

RTECS

QL2800000

Numero UN

2811

Gruppo di imballaggio

III

Peso molecolare

144.17

Beilstein

1817321

Reaxy-Rn

1817321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817321&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: a small molecule

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive；Air sensitive
• Indice di rifrazione: 1.6206
• Punto di infiammabilità (°F): 125℃
• Punto di infiammabilità (°C): 125℃
• Punto di ebollizione (°C): 147°C/15mmHg
• Punto di fusione (°C): 96°C
• Peso molecolare: 144.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.058 Da
• Monoisotopic Mass: 144.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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