12-Crown-4 - ≥98% , CAS No.294-93-9

CAS: 294-93-9 Cat. No.: C102036 Fórmula: C₈H₁₆O₄ Peso molecular: 176.21 Beilstein Registry Number: 1363064 Número 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751814

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

C1COCCOCCOCCO1

WGK Alemanha

3

RTECS

XF0550000

Número UN

2810

Peso molecular

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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Fully miscible in water.
• Sensibilidade: Air sensitive.Light Sensitive
• Ponto de congelamento (°C): 17 °C
• Índice de refração: 1.462-1.463
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 61-70°C/0.5mmHg
• Ponto de fusão (°C): 16°C
• Peso molecular: 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