5,6,7,8-Tetrahydro-2-naphthol - ≥98%(GC) , CAS No.1125-78-6

CAS: 1125-78-6 Cat. No.: T162495 Peso molecular: 148.21 Beilstein Registry Number: 6579 Número EC: 214-410-4 PubChem CID: 14305

GRADE & PURITY ≥98%(GC)

Synonyms

5,6,7,8-tetrahydronapthalen-2-ol | 6-Hydroxytetralin | FT-0657487 | SCHEMBL281925 | A802607 | InChI=1/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H | 6-Tetralinol | A815587 | CCRIS 717 | 5,6,7,8-Tetrahydro-2-naphthol, 98% | 5,7,8-Tetrahydro-.beta.-n

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

5,6,7,8-Tetrahydro-2-naphthol was used as a model compound in the study of photochemical transformation of 17β-estradiol (natural estrogenic steroid) and 17α-ethinylestradiol (synthetic oral contraceptive)

Specifications

Sinónimos

5, 6, 7, 8-tetrahydronapthalen-2-ol | 6-Hydroxytetralin | FT-0657487 | SCHEMBL281925 | A802607 | InChI=1/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7, 11H, 1-4H | 6-Tetralinol | A815587 | CCRIS 717 | 5, 6, 7, 8-Tetrahydro-2-naphthol, 98% | 5, 7, 8-Tetrahydro-.beta.-n

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181971
• Sonrisas canónicas: C1CCC2=C(C1)C=CC(=C2)O
• IUPAC Name: 5,6,7,8-tetrahydronaphthalen-2-ol
• InChIKey: UMKXSOXZAXIOPJ-UHFFFAOYSA-N
• INCHI: 1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
• Isómeros SMILES: C1CCC2=C(C1)C=CC(=C2)O
• WGK Alemania: 3
• RTECS: QL5300000
• PubChem CID: 14305
• Peso molecular: 148.21
• Beilstein: 6579
• Reaxy-Rn: 1101302

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 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 tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• External Descriptors: tetralins

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 275-276℃
• Punto de fusión (°C): 60-63℃
• Peso molecular: 148.200 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 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