12-Crown-4 - ≥98% , CAS No.294-93-9

CAS: 294-93-9 Cat. No.: C102036 Formule: C₈H₁₆O₄ Poids moléculaire: 176.21 Beilstein Registry Number: 1363064 Numéro CE: 206-036-5

GRADE & PURITY ≥98%

Synonyms

EOCT | 12-crown-4-ether | CCRIS 157 | D89315 | FT-0607231 | CHEBI:32399 | SCHEMBL236725 | 1,4,7,10-TETRAOXACYCLODODECANE | 1,4,7,10-tetraoxacyclo-dodecane | 1,4,7,10tetraoxa-Cyclododecane | K6069P2C2A | LS-13523 | MFCD00005103 | 5-19-11-00334 (Beilstein H

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

12-Crown-4 is a Phase transfer catalyst, complexing-agent for lithium. Aprotic "solvent" for alkali metals, the sodium solution is a strong reducing agent.
An aprotic "solvent" for alkali metals, the sodium solution is a strong reducing agent

Specifications

Synonymes

EOCT | 12-crown-4-ether | CCRIS 157 | D89315 | FT-0607231 | CHEBI:32399 | SCHEMBL236725 | 1,4,7,10-TETRAOXACYCLODODECANE | 1,4,7,10-tetraoxacyclo-dodecane | 1,4,7,10tetraoxa-Cyclododecane | K6069P2C2A | LS-13523 | MFCD00005103 | 5-19-11-00334 (Beilstein H

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751814

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751814

Sourires canoniques

C1COCCOCCOCCO1

IUPAC Name

1,4,7,10-tetraoxacyclododecane

InChIKey

XQQZRZQVBFHBHL-UHFFFAOYSA-N

INCHI

1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

Isomères SMILES

C1COCCOCCOCCO1

WGK Allemagne

3

RTECS

XF0550000

Numéro ONU

2810

Poids moléculaire

176.21

Beilstein

1363064

Reaxy-Rn

1363064

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363064&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: saturated organic heteromonocyclic parent - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Fully miscible in water.
• Sensibilité: Air sensitive.Light Sensitive
• Point de congélation (°C): 17 °C
• Indice de réfraction: 1.462-1.463
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 61-70°C/0.5mmHg
• Point de fusion (°C): 16°C
• Poids moléculaire: 176.210 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 65.099
• 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