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 CE: 213-360-0

GRAU & PUREZA ≥99%

Synonyms

.beta.-Ethylnaphthalene|beta-Ethylnaphthalene|Naphthalene, 2-ethyl|2-ETHYLNAPHTHALENE|2-Ethyl-naphthalene|Naphthalene, 2-ethyl-

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

.beta.-Ethylnaphthalene | beta-Ethylnaphthalene | Naphthalene, 2-ethyl | 2-ETHYLNAPHTHALENE | 2-Ethyl-naphthalene | Naphthalene, 2-ethyl-

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488181882

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181882

Sorrisos canónicos

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

SMILES isoméricas

CCC1=CC2=CC=CC=C2C=C1

WGK Alemanha

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
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Índice de refração: 1.60
• Ponto de inflamação (°C): 219.2 °C
• Ponto de ebulição (°C): 252 °C
• Ponto de fusão (°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

Perguntas frequentes

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.