Benzo-15-crown-5 - ≥98% , CAS No.14098-44-3

CAS: 14098-44-3 Cat. No.: B111880 Summenformel: C₁₄H₂₀O₅ Molekulargewicht: 268.31 Beilstein Registry Number: 1624106 EG-Nummer: 237-947-6

QUALITÄT & REINHEIT ≥98%

Synonyms

Benzo-15-crown-5(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)|Monobenzo-15-crown-5|2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin|2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene|Benzo-15-crown 5-Ether|2-Methylthiobenzoic acid, methyl ester|2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine|2,3-Benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene|Denzo15C5|benzo 15-crown-5 ether|Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane|benzyl(2-bromoethyl)carbamate|1,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-|2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxa cyclopentadecin|4-Quinolinol, 6-bromo-2-(trifluoromethyl)-|Benzo15C5|Benzyl 15-crown-5|Cephalotaxine, (.+-.)-|Crown ether benzo-15-crown-5|Benzo-15-crown-5|2,3,5,6,8,9,11,12-Octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine|2,3,5,6,8,9,11,12-Octahydrobenzo-[b][1,4,7,10,13]pentaoxacyclopentadecine|Benzo-15-crown-5 ether

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

Benzo-15-crown-5(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin) | Monobenzo-15-crown-5 | 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin | 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene | Benzo-15-crown 5-Ether | 2-Methylthiobenzoic acid, methyl ester | 2,3,5,6,8,9,11,12-Octahydr Show more

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186226

Kanonisches Lächeln

C1COCCOC2=CC=CC=C2OCCOCCO1

IUPAC Name

2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene

InChIKey

FNEPSTUXZLEUCK-UHFFFAOYSA-N

INCHI

1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

Isomere SMILES

C1COCCOC2=CC=CC=C2OCCOCCO1

WGK Deutschland

3

RTECS

DI5400000

Molekulargewicht

268.31

Beilstein

1624106

Reaxy-Rn

1624106

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1624106&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• External Descriptors: crown ether

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in hot methanol. Slightly soluble in water.
• Empfindlichkeit: Hygroscopic；Moisture sensitive
• Schmelzpunkt (°C): 79-82°C
• Molekulargewicht: 268.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 268.131 Da
• Monoisotopic Mass: 268.131 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 202.000
• 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