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

CAS: 2489-86-3 Cat. No.: A133081 Summenformel: C₁₃H₁₂ Molekulargewicht: 168.24 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 488182369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182369
• Kanonisches Lächeln: 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
• Isomere SMILES: C=CCC1=CC=CC2=CC=CC=C21
• RTECS: QJ1399900
• Molekulargewicht: 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
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.61
• Flammpunkt (°C): 120 °C
• Siedepunkt (°C): 133 °C/12 mmHg
• Molekulargewicht: 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