β-Tetralone - ≥98% , CAS No.530-93-8

CAS: 530-93-8 Cat. No.: T107488 Fórmula: C₁₀H₁₀O Peso molecular: 146.19 Beilstein Registry Number: 509386 Número EC: 208-498-3

GRADE & PURITY ≥98%

Synonyms

1,2,3,4-Tetrahydronaphthalen-2-one | AS-30451 | beta-Tetralone | 2-Oxotetralin | F0001-1367 | T1167 | UNII-K46ZZ833BH | 3,4-Dihydro-2(1H)naphthalenone | 3,4-dihydro-2-(1H)-naphthalenone | 3,4-Dihydro-2(1H)-naphthalenone | AKOS005207031 | DTXSID0060193 | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1,2,3,4-Tetrahydronaphthalen-2-one | AS-30451 | beta-Tetralone | 2-Oxotetralin | F0001-1367 | T1167 | UNII-K46ZZ833BH | 3,4-Dihydro-2(1H)naphthalenone | 3,4-dihydro-2-(1H)-naphthalenone | 3,4-Dihydro-2(1H)-naphthalenone | AKOS005207031 | DTXSID0060193 | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184117
• Sonrisas canónicas: C1CC2=CC=CC=C2CC1=O
• IUPAC Name: 3,4-dihydro-1H-naphthalen-2-one
• InChIKey: KCKZIWSINLBROE-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
• Isómeros SMILES: C1CC2=CC=CC=C2CC1=O
• WGK Alemania: 3
• Peso molecular: 146.19
• Beilstein: 509386
• Reaxy-Rn: 509386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509386&ln=

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: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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)

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive.
• Punto de congelación (°C): 14 °C
• Índice de refracción: 1.56
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 131 °C/11 mmHg
• Punto de fusión (°C): 18°C
• Peso molecular: 146.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 530-93-8, the molecular formula is C10H10O, and the molecular weight is 146.19 g/mol. InChIKey KCKZIWSINLBROE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.