1-Allylnaphthalene - ≥97%(GC) , CAS No.2489-86-3

CAS: 2489-86-3 Cat. No.: A133081 Fórmula: C₁₃H₁₂ Peso molecular: 168.24 Número CE: 876-431-0

GRADE & PURITY ≥97%(GC)

Synonyms

1-(prop-2-en-1-yl)naphthalene | Naphthalene, 1-allyl- | AC-4946 | 1-prop-2-enylnaphthalene | 1-(2-Propenyl)naphthalene | 1-(2-propenyl)-naphthalene | EN300-698376 | .alpha.-Allylnaphthalene | 3-(1-Naphthyl)-1-propene | DTXSID00179588 | A18524 | F14947 | a

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(prop-2-en-1-yl)naphthalene | Naphthalene, 1-allyl- | AC-4946 | 1-prop-2-enylnaphthalene | 1-(2-Propenyl)naphthalene | 1-(2-propenyl)-naphthalene | EN300-698376 | .alpha.-Allylnaphthalene | 3-(1-Naphthyl)-1-propene | DTXSID00179588 | A18524 | F14947 | a

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488182369

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182369

Sorrisos canónicos

C=CCC1=CC=CC2=CC=CC=C21

IUPAC Name

1-prop-2-enylnaphthalene

InChIKey

RJFCFNWLPJRCLR-UHFFFAOYSA-N

INCHI

1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2

SMILES isoméricas

C=CCC1=CC=CC2=CC=CC=C21

RTECS

QJ1399900

Peso molecular

168.24

Reaxy-Rn

1927776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927776&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 Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.61
• Ponto de inflamação (°C): 120 °C
• Ponto de ebulição (°C): 133 °C/12 mmHg
• Peso molecular: 168.230 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.094 Da
• Monoisotopic Mass: 168.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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