1-Ethylnaphthalene - ≥98% , CAS No.1127-76-0

CAS: 1127-76-0 Cat. No.: E122580 Formule: C₁₀H₇C₂H₅ Poids moléculaire: 156.22 Beilstein Registry Number: 1854417 Numéro CE: 214-432-4

QUALITÉ & PURETÉ ≥98%

Synonyms

SY051576 | DTXSID10870852 | UNII-P1MIE8TZ19 | AKOS015912536 | NSC59390 | NSC-59390 | .alpha.-Ethylnaphthalene | P1MIE8TZ19 | alpha-Ethylnaphthalene | MFCD00004049 | EINECS 214-432-4 | ES-2012 | MFCD00274663 | Naphthalene, 1-ethyl- | 1-ETHYLNAPHTHALENE | 1

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

1-Ethylnaphthalene has been employed as guest molecule to investigate: effect of binding Tb3+ to sodium taurocholate aggregates containing polyaromatic hydrocarbon guests its binding to aggregates of sodium cholate, taurocholate, deoxycholate and deoxytaurocholate

Spécifications

Synonymes

SY051576 | DTXSID10870852 | UNII-P1MIE8TZ19 | AKOS015912536 | NSC59390 | NSC-59390 | .alpha.-Ethylnaphthalene | P1MIE8TZ19 | alpha-Ethylnaphthalene | MFCD00004049 | EINECS 214-432-4 | ES-2012 | MFCD00274663 | Naphthalene, 1-ethyl- | 1-ETHYLNAPHTHALENE | 1

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181976

Sourires canoniques

CCC1=CC=CC2=CC=CC=C21

IUPAC Name

1-ethylnaphthalene

InChIKey

ZMXIYERNXPIYFR-UHFFFAOYSA-N

INCHI

1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

Isomères SMILES

CCC1=CC=CC2=CC=CC=C21

WGK Allemagne

3

RTECS

QJ6950000

Poids moléculaire

156.22

Beilstein

1854417

Reaxy-Rn

1854417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854417&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
• Description: 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

Cibles associées (non humaines)

Streptococcus pneumoniae (31063 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Haemophilus influenzae (8812 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light Sensitive,Air Sensitive
• Indice de réfraction: 1.606
• Point d'éclair (°F): 231.8 °F
• Point d'éclair (°C): 111°C(232°F)
• Point d'ébullition (°C): 258-260°C
• Poids moléculaire: 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