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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(s):

Kryptofix® 222B, Kryptand 222B

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About This Item

Empirical Formula (Hill Notation):
C22H36N2O6
CAS Number:
Molecular Weight:
424.53
Beilstein:
586455
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

form

liquid

Quality Level

concentration

50 wt. % in toluene

refractive index

n20/D 1.516

density

0.995 g/mL at 25 °C

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

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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.

Legal Information

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

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
易制毒化学品(3类)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Spectroscopic and Electrochemical Trends in Divalent Lanthanides through Modulation of Coordination Environment
Jenks TC, et al.
Inorganic Chemistry, 59(4), 2613-2620 (2020)
Screening of ligands for redox-active europium using magnetic resonance imaging
Corbin BA, et al.
Bioorganic & Medicinal Chemistry, 26(19), 5274-5279 (2018)

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