2-Ethylnaphthalene - ≥99% , CAS No.939-27-5

CAS: 939-27-5 Cat. No.: E465584 Fórmula: C₁₂H₁₂ Peso molecular: 156.23 Beilstein Registry Number: 1903550 Número EC: 213-360-0

GRADE & PURITY ≥99%

Synonyms

.beta.-Ethylnaphthalene | WLN: L66J C2 | beta-Ethylnaphthalene | MFCD00084376 | D83899 | BDBM50159278 | EINECS 213-360-0 | DTXSID9061330 | NSC 59389 | InChI=1/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3 | Naphthalene, 2-ethyl | A858211 | MFCD00

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

.beta.-Ethylnaphthalene | WLN: L66J C2 | beta-Ethylnaphthalene | MFCD00084376 | D83899 | BDBM50159278 | EINECS 213-360-0 | DTXSID9061330 | NSC 59389 | InChI=1/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3 | Naphthalene, 2-ethyl | A858211 | MFCD00

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181882
• Sonrisas canónicas: CCC1=CC2=CC=CC=C2C=C1
• IUPAC Name: 2-ethylnaphthalene
• InChIKey: RJTJVVYSTUQWNI-UHFFFAOYSA-N
• INCHI: 1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
• Isómeros SMILES: CCC1=CC2=CC=CC=C2C=C1
• WGK Alemania: 3
• RTECS: QJ6960000
• Peso molecular: 156.23
• Beilstein: 1903550
• Reaxy-Rn: 1903545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903545&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

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
• Índice de refracción: 1.60
• Punto de inflamación (°C): 219.2 °C
• Punto de ebullición (°C): 252 °C
• Punto de fusión (°C): -70 °C
• Peso molecular: 156.220 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 156.094 Da
• Monoisotopic Mass: 156.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 939-27-5, the molecular formula is C12H12, and the molecular weight is 156.23 g/mol. InChIKey RJTJVVYSTUQWNI-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.