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  • 308579 - 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution

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308579 Sigma-Aldrich

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution

50 wt. % in toluene

Synonym: Kryptand 222B, Kryptofix® 222B

  • CAS Number 31250-18-7

  • Empirical Formula (Hill Notation) C22H36N2O6

  • Molecular Weight 424.53

  •  Beilstein/REAXYS Number 586455

  •  EC Number 250-532-4

  •  MDL number MFCD00013324

  •  PubChem Substance ID 24858678

  •  NACRES NA.22

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Properties

Related Categories Chelation/Complexation Compounds, Chemical Synthesis, Crown Ethers, Synthetic Reagents
concentration   50 wt. % in toluene
refractive index   n20/D 1.516
density   0.995 g/mL at 25 °C
storage temp.   room temp
SMILES string   C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2
InChI   1S/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2
InChI key   QXLUTPDNMOEWGG-UHFFFAOYSA-N

Description

Application

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene can be used as a model ligand:
• In the metal-ligand complex formation studies to predict ligand coordination with metal ions (Eu & Gd) using magnetic resonance imaging (MRI) technique.
• In the study of coordination environment as well as redox and electronic properties of its YbII complexes.

Packaging

100 mg in ampule

Legal Information

Kryptofix is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Target organs 
Central nervous system
Personal Protective Equipment 
RIDADR 
UN 1993BF 3 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
46.4 °F - closed cup
Flash Point(C) 
8 °C - closed cup

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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